2-(3-methylphenyl)-1,3-benzothiazol-7-amine

C14H12N2S — CID 82231870

IUPAC2-(3-methylphenyl)-1,3-benzothiazol-7-amine
SMILESCc1cccc(-c2nc3cccc(N)c3s2)c1
InChIInChI=1S/C14H12N2S/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15)13(12)17-14/h2-8H,15H2,1H3
InChIKeyQTAZEMXSXREKNF-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.85
Rot. Bonds1

About 2-(3-methylphenyl)-1,3-benzothiazol-7-amine

2-(3-methylphenyl)-1,3-benzothiazol-7-amine (PubChem CID 82231870) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1,3-benzothiazol-7-amine
PubChem CID82231870
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-(3-methylphenyl)-1,3-benzothiazol-7-amine
SMILESCc1cccc(-c2nc3cccc(N)c3s2)c1
InChIInChI=1S/C14H12N2S/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15)13(12)17-14/h2-8H,15H2,1H3
InChIKeyQTAZEMXSXREKNF-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylphenyl)-1,3-benzothiazol-7-amine 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

2-(4-aminophenyl)-1,3-benzothiazol-7-amine
CID 141212234
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82425850
2-(3-methylphenyl)-1,3-thiazole-4,5-diol
CID 174799020
[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine
CID 116887834
4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
CID 55034297
5-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazole
CID 146169333
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186
2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline
CID 43306332
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine
CID 95482954
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3-methylphenyl)-1,3-benzothiazol-7-amine (CID 82231870) is 2-(3-methylphenyl)-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3-methylphenyl)-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3-methylphenyl)-1,3-benzothiazol-7-amine is Cc1cccc(-c2nc3cccc(N)c3s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1,3-benzothiazol-7-amine?
The InChIKey is QTAZEMXSXREKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15)13(12)17-14/h2-8H,15H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1,3-benzothiazol-7-amine?
2-(3-methylphenyl)-1,3-benzothiazol-7-amine has a molecular weight of 240.33 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1,3-benzothiazol-7-amine is sourced from PubChem (CID 82231870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).