5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide

C13H12N6OS — CID 79611373

IUPAC5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2ccccc2-n2cnnn2)c1
InChIInChI=1S/C13H12N6OS/c14-13(20)9-5-10(21-7-9)6-15-11-3-1-2-4-12(11)19-8-16-17-18-19/h1-5,7-8,15H,6H2,(H2,14,20)
InChIKeyHPJMNASSFISDGK-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.43
Rot. Bonds5

About 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide

5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide (PubChem CID 79611373) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
PubChem CID79611373
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2ccccc2-n2cnnn2)c1
InChIInChI=1S/C13H12N6OS/c14-13(20)9-5-10(21-7-9)6-15-11-3-1-2-4-12(11)19-8-16-17-18-19/h1-5,7-8,15H,6H2,(H2,14,20)
InChIKeyHPJMNASSFISDGK-UHFFFAOYSA-N
XLogP1.43
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-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-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide
CID 79611377
2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759060
5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide
CID 79611960
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 115749259
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 43702314
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750
[2-(tetrazol-1-yl)phenyl]thiourea
CID 169356429
N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62085552

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide (CID 79611373) is 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNc2ccccc2-n2cnnn2)c1.
What is the InChIKey of 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide?
The InChIKey is HPJMNASSFISDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c14-13(20)9-5-10(21-7-9)6-15-11-3-1-2-4-12(11)19-8-16-17-18-19/h1-5,7-8,15H,6H2,(H2,14,20).
What are the key properties of 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide?
5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79611373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).