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

C8H6F3N5OS — CID 47277858

IUPAC4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N5OS/c1-3-4(18-2-12-3)5(17)13-7-14-6(15-16-7)8(9,10)11/h2H,1H3,(H2,13,14,15,16,17)
InChIKeySTIVQZOFKPQUGH-UHFFFAOYSA-N
MW277.23 g/mol
LogP1.84
Rot. Bonds2

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

4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 47277858) has the molecular formula C8H6F3N5OS and a molecular weight of 277.23 g/mol. Its IUPAC name is 4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID47277858
Molecular FormulaC8H6F3N5OS
Molecular Weight277.23 g/mol
Exact Mass277.02
IUPAC Name4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N5OS/c1-3-4(18-2-12-3)5(17)13-7-14-6(15-16-7)8(9,10)11/h2H,1H3,(H2,13,14,15,16,17)
InChIKeySTIVQZOFKPQUGH-UHFFFAOYSA-N
XLogP1.84
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide (CID 47277858) is 4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is STIVQZOFKPQUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5OS/c1-3-4(18-2-12-3)5(17)13-7-14-6(15-16-7)8(9,10)11/h2H,1H3,(H2,13,14,15,16,17).
What are the key properties of 4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 277.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47277858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).