N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

C15H10N6OS — CID 90506082

IUPACN-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2csc(Nc3ncccn3)n2)c1
InChIInChI=1S/C15H10N6OS/c16-8-10-3-1-4-11(7-10)19-13(22)12-9-23-15(20-12)21-14-17-5-2-6-18-14/h1-7,9H,(H,19,22)(H,17,18,20,21)
InChIKeyYZVTYMGXFJLXDA-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.80
Rot. Bonds4

About N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90506082) has the molecular formula C15H10N6OS and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90506082
Molecular FormulaC15H10N6OS
Molecular Weight322.35 g/mol
Exact Mass322.06
IUPAC NameN-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2csc(Nc3ncccn3)n2)c1
InChIInChI=1S/C15H10N6OS/c16-8-10-3-1-4-11(7-10)19-13(22)12-9-23-15(20-12)21-14-17-5-2-6-18-14/h1-7,9H,(H,19,22)(H,17,18,20,21)
InChIKeyYZVTYMGXFJLXDA-UHFFFAOYSA-N
XLogP2.80
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506013
N-(4-bromo-3-methylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506028
N-(3-cyanophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 53173117
2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66374193
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 90505988
N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506088
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109318587
N-(3-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316121
2-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317385

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90506082) is N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is N#Cc1cccc(NC(=O)c2csc(Nc3ncccn3)n2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is YZVTYMGXFJLXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6OS/c16-8-10-3-1-4-11(7-10)19-13(22)12-9-23-15(20-12)21-14-17-5-2-6-18-14/h1-7,9H,(H,19,22)(H,17,18,20,21).
What are the key properties of N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).