2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole

C7H11F2NS2 — CID 151315847

IUPAC2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESCCC(SC1=NCCS1)C(F)F
InChIInChI=1S/C7H11F2NS2/c1-2-5(6(8)9)12-7-10-3-4-11-7/h5-6H,2-4H2,1H3
InChIKeyOFKFBZPVAYWGHO-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.87
Rot. Bonds3

About 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole

2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole (PubChem CID 151315847) has the molecular formula C7H11F2NS2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole
PubChem CID151315847
Molecular FormulaC7H11F2NS2
Molecular Weight211.30 g/mol
Exact Mass211.03
IUPAC Name2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESCCC(SC1=NCCS1)C(F)F
InChIInChI=1S/C7H11F2NS2/c1-2-5(6(8)9)12-7-10-3-4-11-7/h5-6H,2-4H2,1H3
InChIKeyOFKFBZPVAYWGHO-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-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 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole (CID 151315847) is 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole is CCC(SC1=NCCS1)C(F)F.
What is the InChIKey of 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is OFKFBZPVAYWGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NS2/c1-2-5(6(8)9)12-7-10-3-4-11-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole?
2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 211.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluorobutan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 151315847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).