N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

C15H11F3N8OS — CID 134698972

IUPACN-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccn2c(NC(=O)c3csc(-n4nc(C)cc4C(F)(F)F)n3)nnc2n1
InChIInChI=1S/C15H11F3N8OS/c1-7-3-4-25-12(19-7)22-23-13(25)21-11(27)9-6-28-14(20-9)26-10(15(16,17)18)5-8(2)24-26/h3-6H,1-2H3,(H,21,23,27)
InChIKeyADGPQQIABBZGEI-UHFFFAOYSA-N
MW408.37 g/mol
LogP2.65
Rot. Bonds3

About N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 134698972) has the molecular formula C15H11F3N8OS and a molecular weight of 408.37 g/mol. Its IUPAC name is N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID134698972
Molecular FormulaC15H11F3N8OS
Molecular Weight408.37 g/mol
Exact Mass408.07
IUPAC NameN-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccn2c(NC(=O)c3csc(-n4nc(C)cc4C(F)(F)F)n3)nnc2n1
InChIInChI=1S/C15H11F3N8OS/c1-7-3-4-25-12(19-7)22-23-13(25)21-11(27)9-6-28-14(20-9)26-10(15(16,17)18)5-8(2)24-26/h3-6H,1-2H3,(H,21,23,27)
InChIKeyADGPQQIABBZGEI-UHFFFAOYSA-N
XLogP2.65
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-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

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 134698972) is N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is Cc1ccn2c(NC(=O)c3csc(-n4nc(C)cc4C(F)(F)F)n3)nnc2n1.
What is the InChIKey of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ADGPQQIABBZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N8OS/c1-7-3-4-25-12(19-7)22-23-13(25)21-11(27)9-6-28-14(20-9)26-10(15(16,17)18)5-8(2)24-26/h3-6H,1-2H3,(H,21,23,27).
What are the key properties of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 408.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134698972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).