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

C9H10ClNS — CID 163804732

IUPAC5-chloro-2-methyl-1,3-benzothiazole;methane
SMILESC.Cc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C8H6ClNS.CH4/c1-5-10-7-4-6(9)2-3-8(7)11-5;/h2-4H,1H3;1H4
InChIKeyNIBGELMCSFCGTA-UHFFFAOYSA-N
MW199.71 g/mol
LogP3.89
Rot. Bonds

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

5-chloro-2-methyl-1,3-benzothiazole;methane (PubChem CID 163804732) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 5-chloro-2-methyl-1,3-benzothiazole;methane.

Molecular Properties

Compound Name5-chloro-2-methyl-1,3-benzothiazole;methane
PubChem CID163804732
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name5-chloro-2-methyl-1,3-benzothiazole;methane
SMILESC.Cc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C8H6ClNS.CH4/c1-5-10-7-4-6(9)2-3-8(7)11-5;/h2-4H,1H3;1H4
InChIKeyNIBGELMCSFCGTA-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
CID 23179407
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
CID 171855018
5-(chloromethyl)-2-methyl-1,3-benzothiazole
CID 2315866
2-methyl-5-methylsulfanyl-1,3-benzothiazole
CID 10954473
2-methyl-5-[(S)-methylsulfinyl]-1,3-benzothiazole
CID 94044690
5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
CID 135074846
2-methyl-1,3-benzothiazole-5-carbonyl chloride
CID 45077000
5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 43305050
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole
CID 134093726

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1,3-benzothiazole;methane?
The IUPAC name of 5-chloro-2-methyl-1,3-benzothiazole;methane (CID 163804732) is 5-chloro-2-methyl-1,3-benzothiazole;methane.
What is the SMILES notation for 5-chloro-2-methyl-1,3-benzothiazole;methane?
The canonical SMILES for 5-chloro-2-methyl-1,3-benzothiazole;methane is C.Cc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-2-methyl-1,3-benzothiazole;methane?
The InChIKey is NIBGELMCSFCGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS.CH4/c1-5-10-7-4-6(9)2-3-8(7)11-5;/h2-4H,1H3;1H4.
What are the key properties of 5-chloro-2-methyl-1,3-benzothiazole;methane?
5-chloro-2-methyl-1,3-benzothiazole;methane has a molecular weight of 199.71 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1,3-benzothiazole;methane is sourced from PubChem (CID 163804732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).