5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide

C19H15FN4OS — CID 121176322

IUPAC5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC(Cn1nccn1)c1ccccc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C19H15FN4OS/c20-15-6-7-17-14(10-15)11-18(26-17)19(25)23-16(12-24-21-8-9-22-24)13-4-2-1-3-5-13/h1-11,16H,12H2,(H,23,25)
InChIKeyGMGLQABRFNYPFN-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.80
Rot. Bonds5

About 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide

5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 121176322) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID121176322
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC(Cn1nccn1)c1ccccc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C19H15FN4OS/c20-15-6-7-17-14(10-15)11-18(26-17)19(25)23-16(12-24-21-8-9-22-24)13-4-2-1-3-5-13/h1-11,16H,12H2,(H,23,25)
InChIKeyGMGLQABRFNYPFN-UHFFFAOYSA-N
XLogP3.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-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

Related Compounds

5-fluoro-N-[2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 121177214
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121176253
5-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43391475
(2S)-2-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]pentanoic acid
CID 107564702
5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 46636468
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032
N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 121176353
N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 119101650
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
CID 124759844

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 121176322) is 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide is O=C(NC(Cn1nccn1)c1ccccc1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is GMGLQABRFNYPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c20-15-6-7-17-14(10-15)11-18(26-17)19(25)23-16(12-24-21-8-9-22-24)13-4-2-1-3-5-13/h1-11,16H,12H2,(H,23,25).
What are the key properties of 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 121176322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).