2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

C13H12F3N7OS — CID 119068720

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCCc3cn[nH]n3)cs2)n1
InChIInChI=1S/C13H12F3N7OS/c1-7-4-10(13(14,15)16)23(21-7)12-19-9(6-25-12)11(24)17-3-2-8-5-18-22-20-8/h4-6H,2-3H2,1H3,(H,17,24)(H,18,20,22)
InChIKeyQHLFBVDSGNPHHP-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.75
Rot. Bonds5

About 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 119068720) has the molecular formula C13H12F3N7OS and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID119068720
Molecular FormulaC13H12F3N7OS
Molecular Weight371.35 g/mol
Exact Mass371.08
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCCc3cn[nH]n3)cs2)n1
InChIInChI=1S/C13H12F3N7OS/c1-7-4-10(13(14,15)16)23(21-7)12-19-9(6-25-12)11(24)17-3-2-8-5-18-22-20-8/h4-6H,2-3H2,1H3,(H,17,24)(H,18,20,22)
InChIKeyQHLFBVDSGNPHHP-UHFFFAOYSA-N
XLogP1.75
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 119068720) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NCCc3cn[nH]n3)cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QHLFBVDSGNPHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N7OS/c1-7-4-10(13(14,15)16)23(21-7)12-19-9(6-25-12)11(24)17-3-2-8-5-18-22-20-8/h4-6H,2-3H2,1H3,(H,17,24)(H,18,20,22).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 371.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(2H-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119068720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).