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

C13H12F3N7OS — CID 135093167

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCCn3cncn3)cs2)n1
InChIInChI=1S/C13H12F3N7OS/c1-8-4-10(13(14,15)16)23(21-8)12-20-9(5-25-12)11(24)18-2-3-22-7-17-6-19-22/h4-7H,2-3H2,1H3,(H,18,24)
InChIKeyJUHFSTAPZMHMEG-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.68
Rot. Bonds5

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

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 135093167) 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-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID135093167
Molecular FormulaC13H12F3N7OS
Molecular Weight371.35 g/mol
Exact Mass371.08
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCCn3cncn3)cs2)n1
InChIInChI=1S/C13H12F3N7OS/c1-8-4-10(13(14,15)16)23(21-8)12-20-9(5-25-12)11(24)18-2-3-22-7-17-6-19-22/h4-7H,2-3H2,1H3,(H,18,24)
InChIKeyJUHFSTAPZMHMEG-UHFFFAOYSA-N
XLogP1.68
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 135093167) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NCCn3cncn3)cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JUHFSTAPZMHMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N7OS/c1-8-4-10(13(14,15)16)23(21-8)12-20-9(5-25-12)11(24)18-2-3-22-7-17-6-19-22/h4-7H,2-3H2,1H3,(H,18,24).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 371.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 135093167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).