2-(2,5-dimethylphenyl)-1,3-benzothiazole

C15H13NS — CID 14365937

IUPAC2-(2,5-dimethylphenyl)-1,3-benzothiazole
SMILESCc1ccc(C)c(-c2nc3ccccc3s2)c1
InChIInChI=1S/C15H13NS/c1-10-7-8-11(2)12(9-10)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3
InChIKeyRUKDAISPPZINMU-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.58
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-1,3-benzothiazole

2-(2,5-dimethylphenyl)-1,3-benzothiazole (PubChem CID 14365937) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1,3-benzothiazole
PubChem CID14365937
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name2-(2,5-dimethylphenyl)-1,3-benzothiazole
SMILESCc1ccc(C)c(-c2nc3ccccc3s2)c1
InChIInChI=1S/C15H13NS/c1-10-7-8-11(2)12(9-10)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3
InChIKeyRUKDAISPPZINMU-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine
CID 155931684
2-(2-methylquinolin-3-yl)-1,3-benzothiazole
CID 163587218
5-(1,3-benzothiazol-2-yl)-2-methylaniline
CID 735970
2-[2,6-bis(4-methylphenyl)phenyl]-1,3-benzothiazole
CID 102455086
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
CID 50849818
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
2-(2,8-dichloro-7-methylquinolin-3-yl)-1,3-benzothiazole
CID 155806756
3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol
CID 143131565
[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118759021
2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole
CID 126195133

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(2,5-dimethylphenyl)-1,3-benzothiazole (CID 14365937) is 2-(2,5-dimethylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1,3-benzothiazole is Cc1ccc(C)c(-c2nc3ccccc3s2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1,3-benzothiazole?
The InChIKey is RUKDAISPPZINMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-10-7-8-11(2)12(9-10)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1,3-benzothiazole?
2-(2,5-dimethylphenyl)-1,3-benzothiazole has a molecular weight of 239.34 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 14365937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).