1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid

C13H9N3O3S — CID 23582059

IUPAC1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid
SMILESNC(=O)c1cnc(N)c2c1sc1cc(C(=O)O)ccc12
InChIInChI=1S/C13H9N3O3S/c14-11-9-6-2-1-5(13(18)19)3-8(6)20-10(9)7(4-16-11)12(15)17/h1-4H,(H2,14,16)(H2,15,17)(H,18,19)
InChIKeyKSKRXRBWVJKCHQ-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.83
Rot. Bonds2

About 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid

1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid (PubChem CID 23582059) has the molecular formula C13H9N3O3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid
PubChem CID23582059
Molecular FormulaC13H9N3O3S
Molecular Weight287.30 g/mol
Exact Mass287.04
IUPAC Name1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid
SMILESNC(=O)c1cnc(N)c2c1sc1cc(C(=O)O)ccc12
InChIInChI=1S/C13H9N3O3S/c14-11-9-6-2-1-5(13(18)19)3-8(6)20-10(9)7(4-16-11)12(15)17/h1-4H,(H2,14,16)(H2,15,17)(H,18,19)
InChIKeyKSKRXRBWVJKCHQ-UHFFFAOYSA-N
XLogP1.83
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-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

7-Amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid
CID 25218755
5-(6-Amino-5-methylpyridin-3-yl)thiophene-2-carboxylic acid
CID 2052640
4-(2-Amino-5-(thiophen-3-yl)pyridin-3-yl)benzoic acid
CID 46229931
Ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate
CID 72945355
1-Amino-7-[4-(trifluoromethyl)phenyl][1]benzothieno[3,2-c]pyridine-4-carboxamide
CID 23581992
1-Amino-7-[(e)-2-(4-fluorophenyl)vinyl][1]benzothieno[3,2-c]pyridine-4-carboxamide
CID 23581994
1-Amino-7-[3-(trifluoromethyl)phenyl][1]benzothieno[3,2-c]pyridine-4-carboxamide
CID 23581995
1-Amino-7-(trifluoromethyl)[1]benzothieno[3,2-c]pyridine-4-carboxamide
CID 23582060
1-Amino-7-[2-(4-fluorophenyl)ethenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide
CID 68717266
4-Amino-2-(4-fluorophenyl)thieno[3,2-c]pyridine-7-carboxylic acid
CID 69757203
4-[2-[[[(E)-3-(6-aminopyridin-3-yl)prop-2-enoyl]amino]methyl]-7-(trifluoromethyl)-1-benzothiophen-5-yl]benzoic acid
CID 121428042
4-[2-[[3-(6-Amino-3-pyridinyl)prop-2-enoylamino]methyl]-7-(trifluoromethyl)-1-benzothiophen-5-yl]benzoic acid
CID 132255612

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid?
The IUPAC name of 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid (CID 23582059) is 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid?
The canonical SMILES for 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid is NC(=O)c1cnc(N)c2c1sc1cc(C(=O)O)ccc12.
What is the InChIKey of 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid?
The InChIKey is KSKRXRBWVJKCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3S/c14-11-9-6-2-1-5(13(18)19)3-8(6)20-10(9)7(4-16-11)12(15)17/h1-4H,(H2,14,16)(H2,15,17)(H,18,19).
What are the key properties of 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid?
1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid has a molecular weight of 287.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 23582059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).