3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide

C15H12N2O3S — CID 56929348

IUPAC3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccc(O)cc3s2)cc1O
InChIInChI=1S/C15H12N2O3S/c1-8-2-3-9(6-12(8)19)14(20)17-15-16-11-5-4-10(18)7-13(11)21-15/h2-7,18-19H,1H3,(H,16,17,20)
InChIKeyXRKDVCIZTVTFSK-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.27
Rot. Bonds2

About 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide

3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide (PubChem CID 56929348) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
PubChem CID56929348
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccc(O)cc3s2)cc1O
InChIInChI=1S/C15H12N2O3S/c1-8-2-3-9(6-12(8)19)14(20)17-15-16-11-5-4-10(18)7-13(11)21-15/h2-7,18-19H,1H3,(H,16,17,20)
InChIKeyXRKDVCIZTVTFSK-UHFFFAOYSA-N
XLogP3.27
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide 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-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
Benzamide, N-2-benzothiazolyl-2-hydroxy-
CID 696305
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 739503
4-benzoyl-N-(6-methoxybenzo[d]thiazol-2-yl)benzamide
CID 1548163
3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2596988
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 2597029

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide (CID 56929348) is 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3ccc(O)cc3s2)cc1O.
What is the InChIKey of 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The InChIKey is XRKDVCIZTVTFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-8-2-3-9(6-12(8)19)14(20)17-15-16-11-5-4-10(18)7-13(11)21-15/h2-7,18-19H,1H3,(H,16,17,20).
What are the key properties of 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide has a molecular weight of 300.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 56929348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).