3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole

C6H4F5NS — CID 135170598

IUPAC3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole
SMILESCc1cc(C(F)(F)C(F)(F)F)sn1
InChIInChI=1S/C6H4F5NS/c1-3-2-4(13-12-3)5(7,8)6(9,10)11/h2H,1H3
InChIKeyOSVRNVUZXINEHV-UHFFFAOYSA-N
MW217.16 g/mol
LogP3.11
Rot. Bonds1

About 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole

3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole (PubChem CID 135170598) has the molecular formula C6H4F5NS and a molecular weight of 217.16 g/mol. Its IUPAC name is 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole
PubChem CID135170598
Molecular FormulaC6H4F5NS
Molecular Weight217.16 g/mol
Exact Mass217.00
IUPAC Name3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole
SMILESCc1cc(C(F)(F)C(F)(F)F)sn1
InChIInChI=1S/C6H4F5NS/c1-3-2-4(13-12-3)5(7,8)6(9,10)11/h2H,1H3
InChIKeyOSVRNVUZXINEHV-UHFFFAOYSA-N
XLogP3.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-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 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
The IUPAC name of 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole (CID 135170598) is 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
The canonical SMILES for 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole is Cc1cc(C(F)(F)C(F)(F)F)sn1.
What is the InChIKey of 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
The InChIKey is OSVRNVUZXINEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F5NS/c1-3-2-4(13-12-3)5(7,8)6(9,10)11/h2H,1H3.
What are the key properties of 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole has a molecular weight of 217.16 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole is sourced from PubChem (CID 135170598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).