5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole

C8H11F2NS — CID 154618326

IUPAC5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole
SMILESCC(C)(C)C(F)(F)c1ccns1
InChIInChI=1S/C8H11F2NS/c1-7(2,3)8(9,10)6-4-5-11-12-6/h4-5H,1-3H3
InChIKeyPUWDNLPFTQPTSR-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.28
Rot. Bonds1

About 5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole

5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole (PubChem CID 154618326) has the molecular formula C8H11F2NS and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole
PubChem CID154618326
Molecular FormulaC8H11F2NS
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole
SMILESCC(C)(C)C(F)(F)c1ccns1
InChIInChI=1S/C8H11F2NS/c1-7(2,3)8(9,10)6-4-5-11-12-6/h4-5H,1-3H3
InChIKeyPUWDNLPFTQPTSR-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-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-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole?
The IUPAC name of 5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole (CID 154618326) is 5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole.
What is the SMILES notation for 5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole?
The canonical SMILES for 5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole is CC(C)(C)C(F)(F)c1ccns1.
What is the InChIKey of 5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole?
The InChIKey is PUWDNLPFTQPTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NS/c1-7(2,3)8(9,10)6-4-5-11-12-6/h4-5H,1-3H3.
What are the key properties of 5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole?
5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole has a molecular weight of 191.25 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-2,2-dimethylpropyl)-1,2-thiazole is sourced from PubChem (CID 154618326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).