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

C15H13N3O2S — CID 739503

IUPAC4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1
InChIInChI=1S/C15H13N3O2S/c1-20-11-6-7-12-13(8-11)21-15(17-12)18-14(19)9-2-4-10(16)5-3-9/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyCACZFXNLHCSKAL-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.14
Rot. Bonds3

About 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 739503) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID739503
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1
InChIInChI=1S/C15H13N3O2S/c1-20-11-6-7-12-13(8-11)21-15(17-12)18-14(19)9-2-4-10(16)5-3-9/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyCACZFXNLHCSKAL-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'}

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Related Compounds

Frentizole
CID 33334
N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
US10251893, Cpd 6
CID 46926811
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 739503) is 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1.
What is the InChIKey of 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is CACZFXNLHCSKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-11-6-7-12-13(8-11)21-15(17-12)18-14(19)9-2-4-10(16)5-3-9/h2-8H,16H2,1H3,(H,17,18,19).
What are the key properties of 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide 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 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 739503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).