4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole

C8H8F5NS — CID 58897158

IUPAC4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(C(F)(F)C(F)(F)F)cs1
InChIInChI=1S/C8H8F5NS/c1-4(2)6-14-5(3-15-6)7(9,10)8(11,12)13/h3-4H,1-2H3
InChIKeyMUZSYYAGOOXFBK-UHFFFAOYSA-N
MW245.22 g/mol
LogP3.92
Rot. Bonds2

About 4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole

4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 58897158) has the molecular formula C8H8F5NS and a molecular weight of 245.22 g/mol. Its IUPAC name is 4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole
PubChem CID58897158
Molecular FormulaC8H8F5NS
Molecular Weight245.22 g/mol
Exact Mass245.03
IUPAC Name4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(C(F)(F)C(F)(F)F)cs1
InChIInChI=1S/C8H8F5NS/c1-4(2)6-14-5(3-15-6)7(9,10)8(11,12)13/h3-4H,1-2H3
InChIKeyMUZSYYAGOOXFBK-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-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-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole (CID 58897158) is 4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(C(F)(F)C(F)(F)F)cs1.
What is the InChIKey of 4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is MUZSYYAGOOXFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5NS/c1-4(2)6-14-5(3-15-6)7(9,10)8(11,12)13/h3-4H,1-2H3.
What are the key properties of 4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole?
4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 245.22 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,2-pentafluoroethyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58897158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).