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

C15H13N3OS — CID 107802478

IUPAC2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3ncsc3c2)c1N
InChIInChI=1S/C15H13N3OS/c1-9-3-2-4-11(14(9)16)15(19)18-10-5-6-12-13(7-10)20-8-17-12/h2-8H,16H2,1H3,(H,18,19)
InChIKeyHRVYXLOKKSNBFT-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.44
Rot. Bonds2

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

2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide (PubChem CID 107802478) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
PubChem CID107802478
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3ncsc3c2)c1N
InChIInChI=1S/C15H13N3OS/c1-9-3-2-4-11(14(9)16)15(19)18-10-5-6-12-13(7-10)20-8-17-12/h2-8H,16H2,1H3,(H,18,19)
InChIKeyHRVYXLOKKSNBFT-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834
5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
CID 107802448
2-amino-N-(3-hydroxy-4-methylphenyl)-3-methylbenzamide
CID 107699257
N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
CID 18585483
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
CID 107802446
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide (CID 107802478) is 2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc3ncsc3c2)c1N.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide?
The InChIKey is HRVYXLOKKSNBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-3-2-4-11(14(9)16)15(19)18-10-5-6-12-13(7-10)20-8-17-12/h2-8H,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide?
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide has a molecular weight of 283.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide is sourced from PubChem (CID 107802478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).