2-amino-3-(thiophen-3-ylamino)benzoic acid

C11H10N2O2S — CID 115546471

IUPAC2-amino-3-(thiophen-3-ylamino)benzoic acid
SMILESNc1c(Nc2ccsc2)cccc1C(=O)O
InChIInChI=1S/C11H10N2O2S/c12-10-8(11(14)15)2-1-3-9(10)13-7-4-5-16-6-7/h1-6,13H,12H2,(H,14,15)
InChIKeyMVCSHADPJHPTOL-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.77
Rot. Bonds3

About 2-amino-3-(thiophen-3-ylamino)benzoic acid

2-amino-3-(thiophen-3-ylamino)benzoic acid (PubChem CID 115546471) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-amino-3-(thiophen-3-ylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(thiophen-3-ylamino)benzoic acid
PubChem CID115546471
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-amino-3-(thiophen-3-ylamino)benzoic acid
SMILESNc1c(Nc2ccsc2)cccc1C(=O)O
InChIInChI=1S/C11H10N2O2S/c12-10-8(11(14)15)2-1-3-9(10)13-7-4-5-16-6-7/h1-6,13H,12H2,(H,14,15)
InChIKeyMVCSHADPJHPTOL-UHFFFAOYSA-N
XLogP2.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(thiophene-3-carbonyl)benzoic acid
CID 70497856
2-amino-3-(4-cyanoanilino)benzoic acid
CID 113332473
2-amino-3-(3-carbamoylanilino)benzoic acid
CID 107809791
2-amino-3-(4-methylsulfanylanilino)benzoic acid
CID 113332415
2-amino-3-[4-(cyanomethyl)anilino]benzoic acid
CID 115545834
2-amino-3-(4-bromo-3-methylanilino)benzoic acid
CID 113332421
2-amino-3-(3-bromo-4-methylanilino)benzoic acid
CID 113332977
2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
5-nitro-2-(thiophen-3-ylamino)benzoic acid
CID 66353952
2-amino-3-(2,5-dibromoanilino)benzoic acid
CID 113332723
2-[(thiophen-3-ylamino)methyl]benzoic acid
CID 103255817
2-amino-3-(2-bromo-4-methylanilino)benzoic acid
CID 115544238

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(thiophen-3-ylamino)benzoic acid?
The IUPAC name of 2-amino-3-(thiophen-3-ylamino)benzoic acid (CID 115546471) is 2-amino-3-(thiophen-3-ylamino)benzoic acid.
What is the SMILES notation for 2-amino-3-(thiophen-3-ylamino)benzoic acid?
The canonical SMILES for 2-amino-3-(thiophen-3-ylamino)benzoic acid is Nc1c(Nc2ccsc2)cccc1C(=O)O.
What is the InChIKey of 2-amino-3-(thiophen-3-ylamino)benzoic acid?
The InChIKey is MVCSHADPJHPTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c12-10-8(11(14)15)2-1-3-9(10)13-7-4-5-16-6-7/h1-6,13H,12H2,(H,14,15).
What are the key properties of 2-amino-3-(thiophen-3-ylamino)benzoic acid?
2-amino-3-(thiophen-3-ylamino)benzoic acid has a molecular weight of 234.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(thiophen-3-ylamino)benzoic acid is sourced from PubChem (CID 115546471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).