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

C15H12N2O2S — CID 18126545

IUPAC2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cccc2sc(NC(=O)c3ccccc3O)nc12
InChIInChI=1S/C15H12N2O2S/c1-9-5-4-8-12-13(9)16-15(20-12)17-14(19)10-6-2-3-7-11(10)18/h2-8,18H,1H3,(H,16,17,19)
InChIKeyGMBYMSZAARZOTG-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds2

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

2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 18126545) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID18126545
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cccc2sc(NC(=O)c3ccccc3O)nc12
InChIInChI=1S/C15H12N2O2S/c1-9-5-4-8-12-13(9)16-15(20-12)17-14(19)10-6-2-3-7-11(10)18/h2-8,18H,1H3,(H,16,17,19)
InChIKeyGMBYMSZAARZOTG-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

methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216
N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
CID 24594441
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 24686372
2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
CID 35871795
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 47293501
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4583356
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43952367
4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897101

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 18126545) is 2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1cccc2sc(NC(=O)c3ccccc3O)nc12.
What is the InChIKey of 2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is GMBYMSZAARZOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9-5-4-8-12-13(9)16-15(20-12)17-14(19)10-6-2-3-7-11(10)18/h2-8,18H,1H3,(H,16,17,19).
What are the key properties of 2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
2-hydroxy-N-(4-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-(4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 18126545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).