4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

C12H12ClNO4S — CID 67243909

IUPAC4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCOCCN1C(=O)C(Cl)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C12H12ClNO4S/c1-18-8-7-14-12(15)10(13)11(19(14,16)17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyONNAKDGBCUWXAM-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.41
Rot. Bonds4

About 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 67243909) has the molecular formula C12H12ClNO4S and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID67243909
Molecular FormulaC12H12ClNO4S
Molecular Weight301.75 g/mol
Exact Mass301.02
IUPAC Name4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCOCCN1C(=O)C(Cl)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C12H12ClNO4S/c1-18-8-7-14-12(15)10(13)11(19(14,16)17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyONNAKDGBCUWXAM-UHFFFAOYSA-N
XLogP1.41
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 67243909) is 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is COCCN1C(=O)C(Cl)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is ONNAKDGBCUWXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4S/c1-18-8-7-14-12(15)10(13)11(19(14,16)17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 301.75 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 67243909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).