N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide

C16H12N8OS — CID 176859975

IUPACN-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide
SMILESCc1cccc(-c2csc(NC(=O)c3cnnn3-c3ccncn3)n2)n1
InChIInChI=1S/C16H12N8OS/c1-10-3-2-4-11(20-10)12-8-26-16(21-12)22-15(25)13-7-19-23-24(13)14-5-6-17-9-18-14/h2-9H,1H3,(H,21,22,25)
InChIKeyDMYSLJFFRUPHBC-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.14
Rot. Bonds4

About N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide

N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide (PubChem CID 176859975) has the molecular formula C16H12N8OS and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide
PubChem CID176859975
Molecular FormulaC16H12N8OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC NameN-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide
SMILESCc1cccc(-c2csc(NC(=O)c3cnnn3-c3ccncn3)n2)n1
InChIInChI=1S/C16H12N8OS/c1-10-3-2-4-11(20-10)12-8-26-16(21-12)22-15(25)13-7-19-23-24(13)14-5-6-17-9-18-14/h2-9H,1H3,(H,21,22,25)
InChIKeyDMYSLJFFRUPHBC-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

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Related Compounds

N-[4-(6-prop-1-ynyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176859622
3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 176859666
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide
CID 176859502
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176858440
3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 176859373
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide
CID 176858783
2-(3-methoxyphenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859049
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858978
3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid
CID 177207667
2-(4-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176859934
2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 16952767
N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176859838

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide (CID 176859975) is N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide is Cc1cccc(-c2csc(NC(=O)c3cnnn3-c3ccncn3)n2)n1.
What is the InChIKey of N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide?
The InChIKey is DMYSLJFFRUPHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8OS/c1-10-3-2-4-11(20-10)12-8-26-16(21-12)22-15(25)13-7-19-23-24(13)14-5-6-17-9-18-14/h2-9H,1H3,(H,21,22,25).
What are the key properties of N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide?
N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-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-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 176859975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).