2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole

C8H11F2NS — CID 66804063

IUPAC2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(C(C)(F)F)s1
InChIInChI=1S/C8H11F2NS/c1-5(2)6-4-11-7(12-6)8(3,9)10/h4-5H,1-3H3
InChIKeyFHMLSIBQPGRTNL-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.38
Rot. Bonds2

About 2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole

2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 66804063) has the molecular formula C8H11F2NS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole
PubChem CID66804063
Molecular FormulaC8H11F2NS
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(C(C)(F)F)s1
InChIInChI=1S/C8H11F2NS/c1-5(2)6-4-11-7(12-6)8(3,9)10/h4-5H,1-3H3
InChIKeyFHMLSIBQPGRTNL-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole (CID 66804063) is 2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole is CC(C)c1cnc(C(C)(F)F)s1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is FHMLSIBQPGRTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NS/c1-5(2)6-4-11-7(12-6)8(3,9)10/h4-5H,1-3H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole?
2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 191.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 66804063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).