3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

C10H6ClN5OS — CID 2851499

IUPAC3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1sc2ccccc2c1Cl
InChIInChI=1S/C10H6ClN5OS/c11-7-5-3-1-2-4-6(5)18-8(7)9(17)12-10-13-15-16-14-10/h1-4H,(H2,12,13,14,15,16,17)
InChIKeyQAKMHRVEFACHMO-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.32
Rot. Bonds2

About 3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 2851499) has the molecular formula C10H6ClN5OS and a molecular weight of 279.71 g/mol. Its IUPAC name is 3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID2851499
Molecular FormulaC10H6ClN5OS
Molecular Weight279.71 g/mol
Exact Mass279.00
IUPAC Name3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1sc2ccccc2c1Cl
InChIInChI=1S/C10H6ClN5OS/c11-7-5-3-1-2-4-6(5)18-8(7)9(17)12-10-13-15-16-14-10/h1-4H,(H2,12,13,14,15,16,17)
InChIKeyQAKMHRVEFACHMO-UHFFFAOYSA-N
XLogP2.32
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-(2H-tetrazol-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

Related Compounds

3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 925650
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 5100620
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 2851499) is 3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is O=C(Nc1nn[nH]n1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is QAKMHRVEFACHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5OS/c11-7-5-3-1-2-4-6(5)18-8(7)9(17)12-10-13-15-16-14-10/h1-4H,(H2,12,13,14,15,16,17).
What are the key properties of 3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 279.71 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2851499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).