(4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole

C12H12F3NS — CID 70297719

IUPAC(4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@H](C)C(c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C12H12F3NS/c1-7-11(17-8(2)16-7)9-4-3-5-10(6-9)12(13,14)15/h3-7,11H,1-2H3/t7-,11?/m1/s1
InChIKeyULJUIVWIBIYFCF-DKSCNQEISA-N
MW259.30 g/mol
LogP4.30
Rot. Bonds1

About (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole

(4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 70297719) has the molecular formula C12H12F3NS and a molecular weight of 259.30 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID70297719
Molecular FormulaC12H12F3NS
Molecular Weight259.30 g/mol
Exact Mass259.06
IUPAC Name(4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@H](C)C(c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C12H12F3NS/c1-7-11(17-8(2)16-7)9-4-3-5-10(6-9)12(13,14)15/h3-7,11H,1-2H3/t7-,11?/m1/s1
InChIKeyULJUIVWIBIYFCF-DKSCNQEISA-N
XLogP4.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-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 (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole (CID 70297719) is (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole is CC1=N[C@H](C)C(c2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is ULJUIVWIBIYFCF-DKSCNQEISA-N. The full InChI is InChI=1S/C12H12F3NS/c1-7-11(17-8(2)16-7)9-4-3-5-10(6-9)12(13,14)15/h3-7,11H,1-2H3/t7-,11?/m1/s1.
What are the key properties of (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
(4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 259.30 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70297719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).