N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide

C16H12N8OS — CID 176858440

IUPACN-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
SMILESCc1cccnc1-c1csc(NC(=O)c2cnnn2-c2ncccn2)n1
InChIInChI=1S/C16H12N8OS/c1-10-4-2-5-17-13(10)11-9-26-16(21-11)22-14(25)12-8-20-23-24(12)15-18-6-3-7-19-15/h2-9H,1H3,(H,21,22,25)
InChIKeyMATZTBZTUVFCOX-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.14
Rot. Bonds4

About N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide

N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide (PubChem CID 176858440) has the molecular formula C16H12N8OS and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
PubChem CID176858440
Molecular FormulaC16H12N8OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC NameN-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
SMILESCc1cccnc1-c1csc(NC(=O)c2cnnn2-c2ncccn2)n1
InChIInChI=1S/C16H12N8OS/c1-10-4-2-5-17-13(10)11-9-26-16(21-11)22-14(25)12-8-20-23-24(12)15-18-6-3-7-19-15/h2-9H,1H3,(H,21,22,25)
InChIKeyMATZTBZTUVFCOX-UHFFFAOYSA-N
XLogP2.14
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-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

3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 176859373
N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176859838
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide
CID 176858783
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridin-4-yl-1,3-oxazole-5-carboxamide
CID 176859760
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrazin-2-yl-1,2-oxazole-4-carboxamide
CID 176859817
N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide
CID 176859975
1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
CID 176858471
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide
CID 176859502
1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 176858663
2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859316
4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176858699
3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 176859666

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide (CID 176858440) is N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide is Cc1cccnc1-c1csc(NC(=O)c2cnnn2-c2ncccn2)n1.
What is the InChIKey of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide?
The InChIKey is MATZTBZTUVFCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8OS/c1-10-4-2-5-17-13(10)11-9-26-16(21-11)22-14(25)12-8-20-23-24(12)15-18-6-3-7-19-15/h2-9H,1H3,(H,21,22,25).
What are the key properties of N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide?
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 176858440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).