4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide

C11H7FN4OS — CID 30866378

IUPAC4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc2c(F)cccc2s1
InChIInChI=1S/C11H7FN4OS/c12-7-2-1-3-8-6(7)4-9(18-8)10(17)15-11-13-5-14-16-11/h1-5H,(H2,13,14,15,16,17)
InChIKeyFECKNRILSBZSQU-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.41
Rot. Bonds2

About 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide

4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 30866378) has the molecular formula C11H7FN4OS and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID30866378
Molecular FormulaC11H7FN4OS
Molecular Weight262.27 g/mol
Exact Mass262.03
IUPAC Name4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc2c(F)cccc2s1
InChIInChI=1S/C11H7FN4OS/c12-7-2-1-3-8-6(7)4-9(18-8)10(17)15-11-13-5-14-16-11/h1-5H,(H2,13,14,15,16,17)
InChIKeyFECKNRILSBZSQU-UHFFFAOYSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide (CID 30866378) is 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide is O=C(Nc1ncn[nH]1)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is FECKNRILSBZSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4OS/c12-7-2-1-3-8-6(7)4-9(18-8)10(17)15-11-13-5-14-16-11/h1-5H,(H2,13,14,15,16,17).
What are the key properties of 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 30866378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).