1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one

C6H5Cl2NOS — CID 153259267

IUPAC1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1sc(Cl)nc1Cl
InChIInChI=1S/C6H5Cl2NOS/c1-2-3(10)4-5(7)9-6(8)11-4/h2H2,1H3
InChIKeyWUWWXFROBHKGIN-UHFFFAOYSA-N
MW210.08 g/mol
LogP3.04
Rot. Bonds2

About 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one

1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one (PubChem CID 153259267) has the molecular formula C6H5Cl2NOS and a molecular weight of 210.08 g/mol. Its IUPAC name is 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one
PubChem CID153259267
Molecular FormulaC6H5Cl2NOS
Molecular Weight210.08 g/mol
Exact Mass208.95
IUPAC Name1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1sc(Cl)nc1Cl
InChIInChI=1S/C6H5Cl2NOS/c1-2-3(10)4-5(7)9-6(8)11-4/h2H2,1H3
InChIKeyWUWWXFROBHKGIN-UHFFFAOYSA-N
XLogP3.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.08
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-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 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one (CID 153259267) is 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one is CCC(=O)c1sc(Cl)nc1Cl.
What is the InChIKey of 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is WUWWXFROBHKGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NOS/c1-2-3(10)4-5(7)9-6(8)11-4/h2H2,1H3.
What are the key properties of 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one?
1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 210.08 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 153259267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).