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

C9H7F3N4OS — CID 57158886

IUPAC5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nn2cnc(C(F)(F)F)n2)cs1
InChIInChI=1S/C9H7F3N4OS/c1-5-2-6(3-18-5)7(17)14-16-4-13-8(15-16)9(10,11)12/h2-4H,1H3,(H,14,17)
InChIKeyPIIYWVLGRVNMDF-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.05
Rot. Bonds2

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

5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide (PubChem CID 57158886) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide
PubChem CID57158886
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC Name5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nn2cnc(C(F)(F)F)n2)cs1
InChIInChI=1S/C9H7F3N4OS/c1-5-2-6(3-18-5)7(17)14-16-4-13-8(15-16)9(10,11)12/h2-4H,1H3,(H,14,17)
InChIKeyPIIYWVLGRVNMDF-UHFFFAOYSA-N
XLogP2.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide (CID 57158886) is 5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide is Cc1cc(C(=O)Nn2cnc(C(F)(F)F)n2)cs1.
What is the InChIKey of 5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide?
The InChIKey is PIIYWVLGRVNMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c1-5-2-6(3-18-5)7(17)14-16-4-13-8(15-16)9(10,11)12/h2-4H,1H3,(H,14,17).
What are the key properties of 5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide?
5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide has a molecular weight of 276.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 57158886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).