N-Benzyl-2-(pyrimidin-4-ylamino)thiazole-4-carboxamide(Thiazovivin)98%

Name: N-Benzyl-2-(pyrimidin-4-ylamino)thiazole-4-carboxamide(Thiazovivin)98%
Brand: Chempure

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CAS Number

1226056-71-8

Molecular Weight

311.36

Formula

C15H13N5OS

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IUPAC name	N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
canonical smiles	C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)NC3=NC=NC=C3
inchi	InChI=1S/C15H13N5OS/c21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20)
inchi key	DOBKQCZBPPCLEG-UHFFFAOYSA-N
molecular formula	C15H13N5OS
synonyms	Thiazovivin 1226056-71-8 N-benzyl-2-(pyrimidin-4-ylamino)thiazole-4-carboxamide Thiazovivin (GMP) N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide

Computed Properties

Molecular Weight:	311.4 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	5
Exact Mass:	311.08408123 g/mol
Monoisotopic Mass:	311.08408123 g/mol
Topological Polar Surface Area:	108 Å²
Heavy Atom Count:	22
Formal Charge:	0
Complexity:	364
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%)
precautionary statement codes	P264, P270, P301+P317, P330, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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Product No: EB6001

N-Benzyl-2-(pyrimidin-4-ylamino)thiazole-4-carboxamide(Thiazovivin)98%

Product No: EB6001

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

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