2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C15H12N2O3S — CID 103687616

IUPAC2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cc(O)ccc3O)sc2c1
InChIInChI=1S/C15H12N2O3S/c1-8-2-4-11-13(6-8)21-15(16-11)17-14(20)10-7-9(18)3-5-12(10)19/h2-7,18-19H,1H3,(H,16,17,20)
InChIKeyRLYZNMWUYXWDCF-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.27
Rot. Bonds2

About 2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 103687616) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID103687616
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cc(O)ccc3O)sc2c1
InChIInChI=1S/C15H12N2O3S/c1-8-2-4-11-13(6-8)21-15(16-11)17-14(20)10-7-9(18)3-5-12(10)19/h2-7,18-19H,1H3,(H,16,17,20)
InChIKeyRLYZNMWUYXWDCF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103602080
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
CID 107721354
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
CID 87123446
4-(methylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 81237659
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19475855
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 103687616) is 2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3cc(O)ccc3O)sc2c1.
What is the InChIKey of 2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is RLYZNMWUYXWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-8-2-4-11-13(6-8)21-15(16-11)17-14(20)10-7-9(18)3-5-12(10)19/h2-7,18-19H,1H3,(H,16,17,20).
What are the key properties of 2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide 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 2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 103687616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).