5-(1,3-benzothiazol-2-yl)-2-methylaniline

C14H12N2S — CID 735970

IUPAC5-(1,3-benzothiazol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3ccccc3s2)cc1N
InChIInChI=1S/C14H12N2S/c1-9-6-7-10(8-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
InChIKeyRLYKSASURFRWIY-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.85
Rot. Bonds1

About 5-(1,3-benzothiazol-2-yl)-2-methylaniline

5-(1,3-benzothiazol-2-yl)-2-methylaniline (PubChem CID 735970) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-2-methylaniline
PubChem CID735970
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name5-(1,3-benzothiazol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3ccccc3s2)cc1N
InChIInChI=1S/C14H12N2S/c1-9-6-7-10(8-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
InChIKeyRLYKSASURFRWIY-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 5-(1,3-benzothiazol-2-yl)-2-methylaniline 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-[4,6-bis[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-1,3-benzothiazole
CID 139660511
5-(1,3-benzothiazol-2-yl)-2-bromoaniline
CID 762786
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
(2S)-2-aminopropanamide;4-(1,3-benzothiazol-2-yl)-2-methylaniline;hydrochloride
CID 20760355
N'-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloroethanimidamide
CID 169367095
5-(1,3-benzothiazol-2-yl)-2-(methoxymethoxy)aniline
CID 71567260
5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 24711318
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
sodium N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]sulfamate
CID 23710157
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-2-methylaniline?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-2-methylaniline (CID 735970) is 5-(1,3-benzothiazol-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-2-methylaniline?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-2-methylaniline is Cc1ccc(-c2nc3ccccc3s2)cc1N.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-2-methylaniline?
The InChIKey is RLYKSASURFRWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-9-6-7-10(8-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-2-methylaniline?
5-(1,3-benzothiazol-2-yl)-2-methylaniline 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 5-(1,3-benzothiazol-2-yl)-2-methylaniline is sourced from PubChem (CID 735970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).