5-chloro-4-(difluoromethyl)-1,3-thiazole

C4H2ClF2NS — CID 54308067

IUPAC5-chloro-4-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1ncsc1Cl
InChIInChI=1S/C4H2ClF2NS/c5-3-2(4(6)7)8-1-9-3/h1,4H
InChIKeyVYBYYXDBEIAFAT-UHFFFAOYSA-N
MW169.58 g/mol
LogP2.73
Rot. Bonds1

About 5-chloro-4-(difluoromethyl)-1,3-thiazole

5-chloro-4-(difluoromethyl)-1,3-thiazole (PubChem CID 54308067) has the molecular formula C4H2ClF2NS and a molecular weight of 169.58 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-1,3-thiazole
PubChem CID54308067
Molecular FormulaC4H2ClF2NS
Molecular Weight169.58 g/mol
Exact Mass168.96
IUPAC Name5-chloro-4-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1ncsc1Cl
InChIInChI=1S/C4H2ClF2NS/c5-3-2(4(6)7)8-1-9-3/h1,4H
InChIKeyVYBYYXDBEIAFAT-UHFFFAOYSA-N
XLogP2.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.58
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-4-(difluoromethyl)-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 5-chloro-4-(difluoromethyl)-1,3-thiazole?
The IUPAC name of 5-chloro-4-(difluoromethyl)-1,3-thiazole (CID 54308067) is 5-chloro-4-(difluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-1,3-thiazole is FC(F)c1ncsc1Cl.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-1,3-thiazole?
The InChIKey is VYBYYXDBEIAFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF2NS/c5-3-2(4(6)7)8-1-9-3/h1,4H.
What are the key properties of 5-chloro-4-(difluoromethyl)-1,3-thiazole?
5-chloro-4-(difluoromethyl)-1,3-thiazole has a molecular weight of 169.58 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-1,3-thiazole is sourced from PubChem (CID 54308067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).