2-(2-bromophenyl)-6-methyl-1,3-benzothiazole

C14H10BrNS — CID 50849818

IUPAC2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccccc3Br)sc2c1
InChIInChI=1S/C14H10BrNS/c1-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3
InChIKeyPQXRIWQFVXNNKS-UHFFFAOYSA-N
MW304.21 g/mol
LogP5.03
Rot. Bonds1

About 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole

2-(2-bromophenyl)-6-methyl-1,3-benzothiazole (PubChem CID 50849818) has the molecular formula C14H10BrNS and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
PubChem CID50849818
Molecular FormulaC14H10BrNS
Molecular Weight304.21 g/mol
Exact Mass302.97
IUPAC Name2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccccc3Br)sc2c1
InChIInChI=1S/C14H10BrNS/c1-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3
InChIKeyPQXRIWQFVXNNKS-UHFFFAOYSA-N
XLogP5.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.21
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole 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-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
2-(2-bromophenyl)-1,3-benzothiazole-6-carbaldehyde
CID 95930228
2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol
CID 136980092
2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 79142624
3-fluoro-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 114002272
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915
2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole
CID 159583059
4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole
CID 84609516
5-bromo-2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 116887939

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole (CID 50849818) is 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole is Cc1ccc2nc(-c3ccccc3Br)sc2c1.
What is the InChIKey of 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole?
The InChIKey is PQXRIWQFVXNNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNS/c1-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3.
What are the key properties of 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole?
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole has a molecular weight of 304.21 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 50849818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).