5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole

C9H10F3NS — CID 20725638

IUPAC5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
SMILESCc1cnc(CCCC(F)=C(F)F)s1
InChIInChI=1S/C9H10F3NS/c1-6-5-13-8(14-6)4-2-3-7(10)9(11)12/h5H,2-4H2,1H3
InChIKeyFPUMYIGNWYZSBX-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.85
Rot. Bonds4

About 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole

5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole (PubChem CID 20725638) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
PubChem CID20725638
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
SMILESCc1cnc(CCCC(F)=C(F)F)s1
InChIInChI=1S/C9H10F3NS/c1-6-5-13-8(14-6)4-2-3-7(10)9(11)12/h5H,2-4H2,1H3
InChIKeyFPUMYIGNWYZSBX-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-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 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole (CID 20725638) is 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole is Cc1cnc(CCCC(F)=C(F)F)s1.
What is the InChIKey of 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole?
The InChIKey is FPUMYIGNWYZSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-6-5-13-8(14-6)4-2-3-7(10)9(11)12/h5H,2-4H2,1H3.
What are the key properties of 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole?
5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole has a molecular weight of 221.25 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole is sourced from PubChem (CID 20725638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).