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

C15H11BrN2O2S — CID 103830434

IUPAC4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(Br)c(O)c3)sc2c1
InChIInChI=1S/C15H11BrN2O2S/c1-8-2-5-11-13(6-8)21-15(17-11)18-14(20)9-3-4-10(16)12(19)7-9/h2-7,19H,1H3,(H,17,18,20)
InChIKeyNDWFYWJHIXLYGQ-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.33
Rot. Bonds2

About 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 103830434) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID103830434
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Name4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(Br)c(O)c3)sc2c1
InChIInChI=1S/C15H11BrN2O2S/c1-8-2-5-11-13(6-8)21-15(17-11)18-14(20)9-3-4-10(16)12(19)7-9/h2-7,19H,1H3,(H,17,18,20)
InChIKeyNDWFYWJHIXLYGQ-UHFFFAOYSA-N
XLogP4.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide 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

3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 61091774
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 46484893
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 107951417
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103602080
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 5182181
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
[6-[(2-bromo-4,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid
CID 22634333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 103830434) is 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3ccc(Br)c(O)c3)sc2c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is NDWFYWJHIXLYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c1-8-2-5-11-13(6-8)21-15(17-11)18-14(20)9-3-4-10(16)12(19)7-9/h2-7,19H,1H3,(H,17,18,20).
What are the key properties of 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 363.24 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 103830434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).