5-chloro-2-(2-methylphenyl)-1,3-benzothiazole

C14H10ClNS — CID 135074846

IUPAC5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
SMILESCc1ccccc1-c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C14H10ClNS/c1-9-4-2-3-5-11(9)14-16-12-8-10(15)6-7-13(12)17-14/h2-8H,1H3
InChIKeyJDMAVYONXLNWHK-UHFFFAOYSA-N
MW259.76 g/mol
LogP4.93
Rot. Bonds1

About 5-chloro-2-(2-methylphenyl)-1,3-benzothiazole

5-chloro-2-(2-methylphenyl)-1,3-benzothiazole (PubChem CID 135074846) has the molecular formula C14H10ClNS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-2-(2-methylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
PubChem CID135074846
Molecular FormulaC14H10ClNS
Molecular Weight259.76 g/mol
Exact Mass259.02
IUPAC Name5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
SMILESCc1ccccc1-c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C14H10ClNS/c1-9-4-2-3-5-11(9)14-16-12-8-10(15)6-7-13(12)17-14/h2-8H,1H3
InChIKeyJDMAVYONXLNWHK-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 43305050
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
5-(5-chloro-1,3-benzothiazol-2-yl)-2,4-difluoroaniline
CID 54924634
2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole
CID 126195133
2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
CID 23179407
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
4-(5-chloro-1,3-benzothiazol-2-yl)phenol
CID 135600436
3-(5-chloro-1,3-benzothiazol-2-yl)phenol
CID 43087846
4-(5-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 58828192
4-(5-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-3-methylphenol
CID 159157664
2,6-dichloro-4-(5-chloro-1,3-benzothiazol-2-yl)aniline
CID 82830212

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylphenyl)-1,3-benzothiazole?
The IUPAC name of 5-chloro-2-(2-methylphenyl)-1,3-benzothiazole (CID 135074846) is 5-chloro-2-(2-methylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-2-(2-methylphenyl)-1,3-benzothiazole?
The canonical SMILES for 5-chloro-2-(2-methylphenyl)-1,3-benzothiazole is Cc1ccccc1-c1nc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-2-(2-methylphenyl)-1,3-benzothiazole?
The InChIKey is JDMAVYONXLNWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNS/c1-9-4-2-3-5-11(9)14-16-12-8-10(15)6-7-13(12)17-14/h2-8H,1H3.
What are the key properties of 5-chloro-2-(2-methylphenyl)-1,3-benzothiazole?
5-chloro-2-(2-methylphenyl)-1,3-benzothiazole has a molecular weight of 259.76 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 135074846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).