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

C15H13N3OS — CID 107802503

IUPAC3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C15H13N3OS/c1-9-11(3-2-4-12(9)16)15(19)18-10-5-6-13-14(7-10)20-8-17-13/h2-8H,16H2,1H3,(H,18,19)
InChIKeyBHQUIIYYWCQORH-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.44
Rot. Bonds2

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

3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide (PubChem CID 107802503) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
PubChem CID107802503
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C15H13N3OS/c1-9-11(3-2-4-12(9)16)15(19)18-10-5-6-13-14(7-10)20-8-17-13/h2-8H,16H2,1H3,(H,18,19)
InChIKeyBHQUIIYYWCQORH-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

N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 107802478
2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
CID 107802446
5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
CID 107802448
N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
CID 18585483
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
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
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide (CID 107802503) is 3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of 3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide?
The InChIKey is BHQUIIYYWCQORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-11(3-2-4-12(9)16)15(19)18-10-5-6-13-14(7-10)20-8-17-13/h2-8H,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide?
3-amino-N-(1,3-benzothiazol-6-yl)-2-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 3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide is sourced from PubChem (CID 107802503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).