4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole

C5H3ClF3NOS — CID 83153453

IUPAC4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESFC(F)(F)COc1nc(Cl)cs1
InChIInChI=1S/C5H3ClF3NOS/c6-3-1-12-4(10-3)11-2-5(7,8)9/h1H,2H2
InChIKeyWXQLIOXHPOGZRM-UHFFFAOYSA-N
MW217.60 g/mol
LogP2.74
Rot. Bonds2

About 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole

4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole (PubChem CID 83153453) has the molecular formula C5H3ClF3NOS and a molecular weight of 217.60 g/mol. Its IUPAC name is 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
PubChem CID83153453
Molecular FormulaC5H3ClF3NOS
Molecular Weight217.60 g/mol
Exact Mass216.96
IUPAC Name4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESFC(F)(F)COc1nc(Cl)cs1
InChIInChI=1S/C5H3ClF3NOS/c6-3-1-12-4(10-3)11-2-5(7,8)9/h1H,2H2
InChIKeyWXQLIOXHPOGZRM-UHFFFAOYSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.60
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole 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-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole (CID 83153453) is 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole is FC(F)(F)COc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The InChIKey is WXQLIOXHPOGZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3NOS/c6-3-1-12-4(10-3)11-2-5(7,8)9/h1H,2H2.
What are the key properties of 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole has a molecular weight of 217.60 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 83153453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).