4-chloro-6-ethyl-1,3-benzothiazole;ethane

C11H14ClNS — CID 154657873

IUPAC4-chloro-6-ethyl-1,3-benzothiazole;ethane
SMILESCC.CCc1cc(Cl)c2ncsc2c1
InChIInChI=1S/C9H8ClNS.C2H6/c1-2-6-3-7(10)9-8(4-6)12-5-11-9;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyJKGMLPDAFVSXEZ-UHFFFAOYSA-N
MW227.76 g/mol
LogP4.54
Rot. Bonds1

About 4-chloro-6-ethyl-1,3-benzothiazole;ethane

4-chloro-6-ethyl-1,3-benzothiazole;ethane (PubChem CID 154657873) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 4-chloro-6-ethyl-1,3-benzothiazole;ethane.

Molecular Properties

Compound Name4-chloro-6-ethyl-1,3-benzothiazole;ethane
PubChem CID154657873
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name4-chloro-6-ethyl-1,3-benzothiazole;ethane
SMILESCC.CCc1cc(Cl)c2ncsc2c1
InChIInChI=1S/C9H8ClNS.C2H6/c1-2-6-3-7(10)9-8(4-6)12-5-11-9;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyJKGMLPDAFVSXEZ-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-6-ethyl-1,3-benzothiazole;ethane 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

4-chloro-6-ethyl-1,3-benzothiazol-2-amine
CID 30029861
4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine
CID 82549012
4-chloro-1,3-benzothiazole-6-carboxylic acid
CID 84679918
2,3-dichloro-5-ethylpyridine
CID 20678674
4-chloro-6-ethyl-1,3-benzoxazole
CID 155002998
3-chloro-5-ethyl-2-propan-2-yloxypyridine
CID 90064685
5-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674738
6-fluoro-4-methyl-1,3-benzothiazole
CID 53413085
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 106816279
2-(bromomethyl)-7-chloro-5-ethyl-1-benzothiophene
CID 131122564
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 63427985
3-chloro-6-ethyl-1-benzothiophene
CID 91757441

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-1,3-benzothiazole;ethane?
The IUPAC name of 4-chloro-6-ethyl-1,3-benzothiazole;ethane (CID 154657873) is 4-chloro-6-ethyl-1,3-benzothiazole;ethane.
What is the SMILES notation for 4-chloro-6-ethyl-1,3-benzothiazole;ethane?
The canonical SMILES for 4-chloro-6-ethyl-1,3-benzothiazole;ethane is CC.CCc1cc(Cl)c2ncsc2c1.
What is the InChIKey of 4-chloro-6-ethyl-1,3-benzothiazole;ethane?
The InChIKey is JKGMLPDAFVSXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS.C2H6/c1-2-6-3-7(10)9-8(4-6)12-5-11-9;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of 4-chloro-6-ethyl-1,3-benzothiazole;ethane?
4-chloro-6-ethyl-1,3-benzothiazole;ethane has a molecular weight of 227.76 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-1,3-benzothiazole;ethane is sourced from PubChem (CID 154657873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).