2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C15H12N2O2S — CID 596305

IUPAC2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccccc3O)sc2c1
InChIInChI=1S/C15H12N2O2S/c1-9-6-7-11-13(8-9)20-15(16-11)17-14(19)10-4-2-3-5-12(10)18/h2-8,18H,1H3,(H,16,17,19)
InChIKeyODMDCSVWTPJREQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds2

About 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 596305) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID596305
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccccc3O)sc2c1
InChIInChI=1S/C15H12N2O2S/c1-9-6-7-11-13(8-9)20-15(16-11)17-14(19)10-4-2-3-5-12(10)18/h2-8,18H,1H3,(H,16,17,19)
InChIKeyODMDCSVWTPJREQ-UHFFFAOYSA-N
XLogP3.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
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
N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 788928
Benzamide, N-2-benzothiazolyl-2-hydroxy-
CID 696305
2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
N-(4,5-Dimethyl-thiazol-2-yl)-2-hydroxy-benzamide
CID 807671
Casein kinase 1|A-IN-3
CID 670753
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 739503
2-hydroxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 3738647
2,6-difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
CID 56929159

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 596305) is 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3ccccc3O)sc2c1.
What is the InChIKey of 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ODMDCSVWTPJREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9-6-7-11-13(8-9)20-15(16-11)17-14(19)10-4-2-3-5-12(10)18/h2-8,18H,1H3,(H,16,17,19).
What are the key properties of 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 284.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 596305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).