4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole

C10H10F3NS2 — CID 86218953

IUPAC4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole
SMILESFC(F)=C(F)CCSc1nc(C2CC2)cs1
InChIInChI=1S/C10H10F3NS2/c11-7(9(12)13)3-4-15-10-14-8(5-16-10)6-1-2-6/h5-6H,1-4H2
InChIKeyXEDGUNUBQSRPCV-UHFFFAOYSA-N
MW265.32 g/mol
LogP4.58
Rot. Bonds5

About 4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole

4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole (PubChem CID 86218953) has the molecular formula C10H10F3NS2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole
PubChem CID86218953
Molecular FormulaC10H10F3NS2
Molecular Weight265.32 g/mol
Exact Mass265.02
IUPAC Name4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole
SMILESFC(F)=C(F)CCSc1nc(C2CC2)cs1
InChIInChI=1S/C10H10F3NS2/c11-7(9(12)13)3-4-15-10-14-8(5-16-10)6-1-2-6/h5-6H,1-4H2
InChIKeyXEDGUNUBQSRPCV-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-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-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole (CID 86218953) is 4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole is FC(F)=C(F)CCSc1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole?
The InChIKey is XEDGUNUBQSRPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS2/c11-7(9(12)13)3-4-15-10-14-8(5-16-10)6-1-2-6/h5-6H,1-4H2.
What are the key properties of 4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole?
4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole has a molecular weight of 265.32 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 86218953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).