3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one

C7H10ClNOS — CID 63312906

IUPAC3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCCl)c1C
InChIInChI=1S/C7H10ClNOS/c1-5-6(2)11-7(10)9(5)4-3-8/h3-4H2,1-2H3
InChIKeyZTWZPGBYMWTNJL-UHFFFAOYSA-N
MW191.68 g/mol
LogP1.77
Rot. Bonds2

About 3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one

3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312906) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312906
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCCl)c1C
InChIInChI=1S/C7H10ClNOS/c1-5-6(2)11-7(10)9(5)4-3-8/h3-4H2,1-2H3
InChIKeyZTWZPGBYMWTNJL-UHFFFAOYSA-N
XLogP1.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 63312906) is 3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CCCl)c1C.
What is the InChIKey of 3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is ZTWZPGBYMWTNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c1-5-6(2)11-7(10)9(5)4-3-8/h3-4H2,1-2H3.
What are the key properties of 3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 191.68 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).