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

C9H6ClF3N4OS — CID 171679236

IUPAC4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide
SMILESCn1nc(C(F)(F)F)nc1NC(=O)c1cc(Cl)cs1
InChIInChI=1S/C9H6ClF3N4OS/c1-17-8(15-7(16-17)9(11,12)13)14-6(18)5-2-4(10)3-19-5/h2-3H,1H3,(H,14,15,16,18)
InChIKeyVIHDCJVGPMNKLJ-UHFFFAOYSA-N
MW310.69 g/mol
LogP2.80
Rot. Bonds2

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

4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide (PubChem CID 171679236) has the molecular formula C9H6ClF3N4OS and a molecular weight of 310.69 g/mol. Its IUPAC name is 4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide
PubChem CID171679236
Molecular FormulaC9H6ClF3N4OS
Molecular Weight310.69 g/mol
Exact Mass309.99
IUPAC Name4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide
SMILESCn1nc(C(F)(F)F)nc1NC(=O)c1cc(Cl)cs1
InChIInChI=1S/C9H6ClF3N4OS/c1-17-8(15-7(16-17)9(11,12)13)14-6(18)5-2-4(10)3-19-5/h2-3H,1H3,(H,14,15,16,18)
InChIKeyVIHDCJVGPMNKLJ-UHFFFAOYSA-N
XLogP2.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 171679218
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 171679225
2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 91455987
3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide
CID 171679215
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
CID 171679266
[3-methyl-5-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]carbamoyl]phenyl] acetate
CID 59581591
N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 171679265
4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 171679224
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 171679270
4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 171679272
4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 110861967
2-tert-butyl-6-chloro-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]pyridine-4-carboxamide
CID 166415965

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide (CID 171679236) is 4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide is Cn1nc(C(F)(F)F)nc1NC(=O)c1cc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
The InChIKey is VIHDCJVGPMNKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4OS/c1-17-8(15-7(16-17)9(11,12)13)14-6(18)5-2-4(10)3-19-5/h2-3H,1H3,(H,14,15,16,18).
What are the key properties of 4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide has a molecular weight of 310.69 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 171679236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).