2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid

C16H11ClN4O2S — CID 58397730

IUPAC2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(Nc2nc3ccc(Cl)cc3s2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H11ClN4O2S/c1-21-12-5-2-8(14(22)23)6-11(12)18-15(21)20-16-19-10-4-3-9(17)7-13(10)24-16/h2-7H,1H3,(H,22,23)(H,18,19,20)
InChIKeyFRLOLVZHVLIVJC-UHFFFAOYSA-N
MW358.81 g/mol
LogP4.28
Rot. Bonds3

About 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid

2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 58397730) has the molecular formula C16H11ClN4O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid
PubChem CID58397730
Molecular FormulaC16H11ClN4O2S
Molecular Weight358.81 g/mol
Exact Mass358.03
IUPAC Name2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(Nc2nc3ccc(Cl)cc3s2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H11ClN4O2S/c1-21-12-5-2-8(14(22)23)6-11(12)18-15(21)20-16-19-10-4-3-9(17)7-13(10)24-16/h2-7H,1H3,(H,22,23)(H,18,19,20)
InChIKeyFRLOLVZHVLIVJC-UHFFFAOYSA-N
XLogP4.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid (CID 58397730) is 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid is Cn1c(Nc2nc3ccc(Cl)cc3s2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is FRLOLVZHVLIVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S/c1-21-12-5-2-8(14(22)23)6-11(12)18-15(21)20-16-19-10-4-3-9(17)7-13(10)24-16/h2-7H,1H3,(H,22,23)(H,18,19,20).
What are the key properties of 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid?
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 358.81 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 58397730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).