5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid

C14H10N2O3S2 — CID 80722215

IUPAC5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
SMILESNc1ccc(NC(=O)c2cc3sccc3s2)c(C(=O)O)c1
InChIInChI=1S/C14H10N2O3S2/c15-7-1-2-9(8(5-7)14(18)19)16-13(17)12-6-11-10(21-12)3-4-20-11/h1-6H,15H2,(H,16,17)(H,18,19)
InChIKeyQHMXAUWXJVPJFP-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.50
Rot. Bonds3

About 5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid

5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid (PubChem CID 80722215) has the molecular formula C14H10N2O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
PubChem CID80722215
Molecular FormulaC14H10N2O3S2
Molecular Weight318.38 g/mol
Exact Mass318.01
IUPAC Name5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
SMILESNc1ccc(NC(=O)c2cc3sccc3s2)c(C(=O)O)c1
InChIInChI=1S/C14H10N2O3S2/c15-7-1-2-9(8(5-7)14(18)19)16-13(17)12-6-11-10(21-12)3-4-20-11/h1-6H,15H2,(H,16,17)(H,18,19)
InChIKeyQHMXAUWXJVPJFP-UHFFFAOYSA-N
XLogP3.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722230
5-iodo-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723029
5-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722706
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
2-methyl-5-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723700
5-amino-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981158
2-methyl-4-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722535
N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80729190
N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 107808445
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 81498674
3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid
CID 80733671

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
The IUPAC name of 5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid (CID 80722215) is 5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid.
What is the SMILES notation for 5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
The canonical SMILES for 5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid is Nc1ccc(NC(=O)c2cc3sccc3s2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
The InChIKey is QHMXAUWXJVPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S2/c15-7-1-2-9(8(5-7)14(18)19)16-13(17)12-6-11-10(21-12)3-4-20-11/h1-6H,15H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid has a molecular weight of 318.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid is sourced from PubChem (CID 80722215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).