2-chloro-5-methyl-1,3-benzothiazole

C8H6ClNS — CID 13050838

IUPAC2-chloro-5-methyl-1,3-benzothiazole
SMILESCc1ccc2sc(Cl)nc2c1
InChIInChI=1S/C8H6ClNS/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3
InChIKeyLMODYJDUSCQYRS-UHFFFAOYSA-N
MW183.66 g/mol
LogP3.26
Rot. Bonds

About 2-chloro-5-methyl-1,3-benzothiazole

2-chloro-5-methyl-1,3-benzothiazole (PubChem CID 13050838) has the molecular formula C8H6ClNS and a molecular weight of 183.66 g/mol. Its IUPAC name is 2-chloro-5-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-chloro-5-methyl-1,3-benzothiazole
PubChem CID13050838
Molecular FormulaC8H6ClNS
Molecular Weight183.66 g/mol
Exact Mass182.99
IUPAC Name2-chloro-5-methyl-1,3-benzothiazole
SMILESCc1ccc2sc(Cl)nc2c1
InChIInChI=1S/C8H6ClNS/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3
InChIKeyLMODYJDUSCQYRS-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Thiocyanomethylthio)benzothiazole
CID 30692
Sodium 2-mercaptobenzothiazole
CID 3714831
2-(Methylthio)benzothiazole
CID 11989
N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide
CID 7230
2-Methylbenzothiazole
CID 8446
2-(p-Dimethylaminostyryl)benzothiazole
CID 5378081
2-(4-Aminophenyl)benzothiazole
CID 234475
2-(4-Aminophenyl)-6-methylbenzothiazole
CID 7087
4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 95755
2-Phenylbenzothiazole
CID 13439
Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-
CID 82450
2-Chlorobenzothiazole
CID 11987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-1,3-benzothiazole?
The IUPAC name of 2-chloro-5-methyl-1,3-benzothiazole (CID 13050838) is 2-chloro-5-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-chloro-5-methyl-1,3-benzothiazole?
The canonical SMILES for 2-chloro-5-methyl-1,3-benzothiazole is Cc1ccc2sc(Cl)nc2c1.
What is the InChIKey of 2-chloro-5-methyl-1,3-benzothiazole?
The InChIKey is LMODYJDUSCQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3.
What are the key properties of 2-chloro-5-methyl-1,3-benzothiazole?
2-chloro-5-methyl-1,3-benzothiazole has a molecular weight of 183.66 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-1,3-benzothiazole is sourced from PubChem (CID 13050838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).