2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide

C15H13N3O2S — CID 107802446

IUPAC2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C15H13N3O2S/c1-20-12-4-2-3-10(16)14(12)15(19)18-9-5-6-11-13(7-9)21-8-17-11/h2-8H,16H2,1H3,(H,18,19)
InChIKeyPQUDOVWPTNNRIY-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.14
Rot. Bonds3

About 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide

2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide (PubChem CID 107802446) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
PubChem CID107802446
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C15H13N3O2S/c1-20-12-4-2-3-10(16)14(12)15(19)18-9-5-6-11-13(7-9)21-8-17-11/h2-8H,16H2,1H3,(H,18,19)
InChIKeyPQUDOVWPTNNRIY-UHFFFAOYSA-N
XLogP3.14
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide 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

N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
CID 18585483
3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503
2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide
CID 81395610
2-amino-6-methoxy-N-pyridin-4-ylbenzamide
CID 81410012
2-amino-N-(3-ethoxyphenyl)-6-methoxybenzamide
CID 81394304
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 107802478
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
methyl 3-(1,3-benzothiazole-6-carbonylamino)benzoate
CID 4797242
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide (CID 107802446) is 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide is COc1cccc(N)c1C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide?
The InChIKey is PQUDOVWPTNNRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-12-4-2-3-10(16)14(12)15(19)18-9-5-6-11-13(7-9)21-8-17-11/h2-8H,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide?
2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide has a molecular weight of 299.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide is sourced from PubChem (CID 107802446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).