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

C15H12N2O3S — CID 782771

IUPAC2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3O)sc2c1
InChIInChI=1S/C15H12N2O3S/c1-20-9-6-7-11-13(8-9)21-15(16-11)17-14(19)10-4-2-3-5-12(10)18/h2-8,18H,1H3,(H,16,17,19)
InChIKeyKVPJVNVLBXIDIP-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.26
Rot. Bonds3

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

2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 782771) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID782771
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3O)sc2c1
InChIInChI=1S/C15H12N2O3S/c1-20-9-6-7-11-13(8-9)21-15(16-11)17-14(19)10-4-2-3-5-12(10)18/h2-8,18H,1H3,(H,16,17,19)
InChIKeyKVPJVNVLBXIDIP-UHFFFAOYSA-N
XLogP3.26
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 782771) is 2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3ccccc3O)sc2c1.
What is the InChIKey of 2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is KVPJVNVLBXIDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-20-9-6-7-11-13(8-9)21-15(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-methoxy-1,3-benzothiazol-2-yl)benzamide?
2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 300.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 782771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).