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

C16H9N9OS — CID 176859838

IUPACN-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
SMILESN#Cc1cccnc1-c1csc(NC(=O)c2cnnn2-c2ncccn2)n1
InChIInChI=1S/C16H9N9OS/c17-7-10-3-1-4-18-13(10)11-9-27-16(22-11)23-14(26)12-8-21-24-25(12)15-19-5-2-6-20-15/h1-6,8-9H,(H,22,23,26)
InChIKeyOLBKEUHUFGWUKN-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.70
Rot. Bonds4

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

N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide (PubChem CID 176859838) has the molecular formula C16H9N9OS and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
PubChem CID176859838
Molecular FormulaC16H9N9OS
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC NameN-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
SMILESN#Cc1cccnc1-c1csc(NC(=O)c2cnnn2-c2ncccn2)n1
InChIInChI=1S/C16H9N9OS/c17-7-10-3-1-4-18-13(10)11-9-27-16(22-11)23-14(26)12-8-21-24-25(12)15-19-5-2-6-20-15/h1-6,8-9H,(H,22,23,26)
InChIKeyOLBKEUHUFGWUKN-UHFFFAOYSA-N
XLogP1.70
TPSA135.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide
CID 176859502
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858944
N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide
CID 176859975
3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 176859666
N-[4-(6-prop-1-ynyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176859622
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858978
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridin-4-yl-1,3-oxazole-5-carboxamide
CID 176859760
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrazin-2-yl-1,2-oxazole-4-carboxamide
CID 176859817

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide (CID 176859838) is N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide is N#Cc1cccnc1-c1csc(NC(=O)c2cnnn2-c2ncccn2)n1.
What is the InChIKey of N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide?
The InChIKey is OLBKEUHUFGWUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N9OS/c17-7-10-3-1-4-18-13(10)11-9-27-16(22-11)23-14(26)12-8-21-24-25(12)15-19-5-2-6-20-15/h1-6,8-9H,(H,22,23,26).
What are the key properties of N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide?
N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 176859838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).