2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

C10H10N4O2S — CID 122171945

IUPAC2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SMILESO=C(O)c1c(-n2ncnn2)sc2c1CCCC2
InChIInChI=1S/C10H10N4O2S/c15-10(16)8-6-3-1-2-4-7(6)17-9(8)14-12-5-11-13-14/h5H,1-4H2,(H,15,16)
InChIKeyFNHUGBSZNHODFY-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.30
Rot. Bonds2

About 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (PubChem CID 122171945) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
PubChem CID122171945
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SMILESO=C(O)c1c(-n2ncnn2)sc2c1CCCC2
InChIInChI=1S/C10H10N4O2S/c15-10(16)8-6-3-1-2-4-7(6)17-9(8)14-12-5-11-13-14/h5H,1-4H2,(H,15,16)
InChIKeyFNHUGBSZNHODFY-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 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

2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 20676172
2-(3,5-dioxo-1,2,4-triazolidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 107409425
2-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 82374906
2-(pyrimidine-5-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 102921381
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 5151249
piperidin-1-yl-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 36675721
1-(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanone
CID 86155962
2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 155388917
2-[2,5-dimethyl-3-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 3255306
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 68906817
2-[2,5-dimethyl-3-(phenyliminomethyl)pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 126390174
2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 155388911

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The IUPAC name of 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CID 122171945) is 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
What is the SMILES notation for 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The canonical SMILES for 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is O=C(O)c1c(-n2ncnn2)sc2c1CCCC2.
What is the InChIKey of 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The InChIKey is FNHUGBSZNHODFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c15-10(16)8-6-3-1-2-4-7(6)17-9(8)14-12-5-11-13-14/h5H,1-4H2,(H,15,16).
What are the key properties of 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is sourced from PubChem (CID 122171945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).