N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide

C14H13N3OS — CID 91382735

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc2ccsc2c1
InChIInChI=1S/C14H13N3OS/c18-14(16-5-3-12-8-15-9-17-12)11-2-1-10-4-6-19-13(10)7-11/h1-2,4,6-9H,3,5H2,(H,15,17)(H,16,18)
InChIKeySAUGIPSJKDGDTA-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide (PubChem CID 91382735) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide
PubChem CID91382735
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc2ccsc2c1
InChIInChI=1S/C14H13N3OS/c18-14(16-5-3-12-8-15-9-17-12)11-2-1-10-4-6-19-13(10)7-11/h1-2,4,6-9H,3,5H2,(H,15,17)(H,16,18)
InChIKeySAUGIPSJKDGDTA-UHFFFAOYSA-N
XLogP2.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-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

4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712481
N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
CID 10851318
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 65236308
2-[(2S)-butan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 39377648
3-(3-aminoprop-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzamide
CID 81460605
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
3-[3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]phenyl]prop-2-enoic acid
CID 77061481
3-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzamide
CID 104852790
3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 65236987
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-methylpyridine-4-carboxamide
CID 113379256
3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 70765860

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide (CID 91382735) is N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide is O=C(NCCc1cnc[nH]1)c1ccc2ccsc2c1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide?
The InChIKey is SAUGIPSJKDGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-14(16-5-3-12-8-15-9-17-12)11-2-1-10-4-6-19-13(10)7-11/h1-2,4,6-9H,3,5H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 91382735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).