3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole

C7H6F5NS — CID 155406469

IUPAC3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole
SMILESCc1nsc(C(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C7H6F5NS/c1-3-4(2)13-14-5(3)6(8,9)7(10,11)12/h1-2H3
InChIKeyJAOAFKBRMDQVIY-UHFFFAOYSA-N
MW231.19 g/mol
LogP3.41
Rot. Bonds1

About 3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole

3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole (PubChem CID 155406469) has the molecular formula C7H6F5NS and a molecular weight of 231.19 g/mol. Its IUPAC name is 3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole
PubChem CID155406469
Molecular FormulaC7H6F5NS
Molecular Weight231.19 g/mol
Exact Mass231.01
IUPAC Name3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole
SMILESCc1nsc(C(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C7H6F5NS/c1-3-4(2)13-14-5(3)6(8,9)7(10,11)12/h1-2H3
InChIKeyJAOAFKBRMDQVIY-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
The IUPAC name of 3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole (CID 155406469) is 3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole.
What is the SMILES notation for 3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
The canonical SMILES for 3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole is Cc1nsc(C(F)(F)C(F)(F)F)c1C.
What is the InChIKey of 3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
The InChIKey is JAOAFKBRMDQVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F5NS/c1-3-4(2)13-14-5(3)6(8,9)7(10,11)12/h1-2H3.
What are the key properties of 3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole has a molecular weight of 231.19 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole is sourced from PubChem (CID 155406469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).