5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid

C13H10ClN3O2S — CID 121433276

IUPAC5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)cc(NCc3nccs3)c2[nH]1
InChIInChI=1S/C13H10ClN3O2S/c14-8-3-7-4-10(13(18)19)17-12(7)9(5-8)16-6-11-15-1-2-20-11/h1-5,16-17H,6H2,(H,18,19)
InChIKeyAJFYLQMIZNIDHL-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.59
Rot. Bonds4

About 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid

5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid (PubChem CID 121433276) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid
PubChem CID121433276
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)cc(NCc3nccs3)c2[nH]1
InChIInChI=1S/C13H10ClN3O2S/c14-8-3-7-4-10(13(18)19)17-12(7)9(5-8)16-6-11-15-1-2-20-11/h1-5,16-17H,6H2,(H,18,19)
InChIKeyAJFYLQMIZNIDHL-UHFFFAOYSA-N
XLogP3.59
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-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

4-fluoro-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63656617
2-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231705
4-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231543
methyl 5-chloro-2-(1,3-thiazol-2-ylmethylamino)benzoate
CID 63657617
4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63743799
3,5-dichloro-4-(1,3-thiazol-2-ylmethylcarbamoylamino)benzoic acid
CID 82811622
5-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 125457754
3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 62709979
methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate
CID 142587312
3-amino-4-(1,3-thiazol-2-ylmethylamino)benzamide
CID 61284227
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 79556675
5-chloro-7-nitro-1H-indole-2-carboxylic acid
CID 59542969

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid?
The IUPAC name of 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid (CID 121433276) is 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(Cl)cc(NCc3nccs3)c2[nH]1.
What is the InChIKey of 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid?
The InChIKey is AJFYLQMIZNIDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-8-3-7-4-10(13(18)19)17-12(7)9(5-8)16-6-11-15-1-2-20-11/h1-5,16-17H,6H2,(H,18,19).
What are the key properties of 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid?
5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid has a molecular weight of 307.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(1,3-thiazol-2-ylmethylamino)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 121433276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).