N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide

C16H9N9OS — CID 176858944

IUPACN-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide
SMILESN#Cc1sc(NC(=O)c2cnnn2-c2cncnc2)nc1-c1ccccn1
InChIInChI=1S/C16H9N9OS/c17-5-13-14(11-3-1-2-4-20-11)22-16(27-13)23-15(26)12-8-21-24-25(12)10-6-18-9-19-7-10/h1-4,6-9H,(H,22,23,26)
InChIKeyZYMGEDWYAUVAPC-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.70
Rot. Bonds4

About N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide

N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide (PubChem CID 176858944) has the molecular formula C16H9N9OS and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide
PubChem CID176858944
Molecular FormulaC16H9N9OS
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC NameN-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide
SMILESN#Cc1sc(NC(=O)c2cnnn2-c2cncnc2)nc1-c1ccccn1
InChIInChI=1S/C16H9N9OS/c17-5-13-14(11-3-1-2-4-20-11)22-16(27-13)23-15(26)12-8-21-24-25(12)10-6-18-9-19-7-10/h1-4,6-9H,(H,22,23,26)
InChIKeyZYMGEDWYAUVAPC-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-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-methylthiophene-2-carboxamide
CID 122691007
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 122690848
N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 176859505
N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide
CID 176859317
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-methoxy-4-(trifluoromethoxy)benzamide
CID 122691018
N-[4-(6-prop-1-ynyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176859622
3-[(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 87302475
N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176859838
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858978
N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide
CID 176858503
3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 176859666
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176858440

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide?
The IUPAC name of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide (CID 176858944) is N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide.
What is the SMILES notation for N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide?
The canonical SMILES for N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide is N#Cc1sc(NC(=O)c2cnnn2-c2cncnc2)nc1-c1ccccn1.
What is the InChIKey of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide?
The InChIKey is ZYMGEDWYAUVAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N9OS/c17-5-13-14(11-3-1-2-4-20-11)22-16(27-13)23-15(26)12-8-21-24-25(12)10-6-18-9-19-7-10/h1-4,6-9H,(H,22,23,26).
What are the key properties of N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide?
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-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-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide is sourced from PubChem (CID 176858944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).