2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole

C10H8F3NS — CID 134159168

IUPAC2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C10H8F3NS/c11-10(12,13)8-6-15-9(14-8)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyMQRNUZNDJPVWAL-UHFFFAOYSA-N
MW231.24 g/mol
LogP3.11
Rot. Bonds1

About 2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole

2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole (PubChem CID 134159168) has the molecular formula C10H8F3NS and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
PubChem CID134159168
Molecular FormulaC10H8F3NS
Molecular Weight231.24 g/mol
Exact Mass231.03
IUPAC Name2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C10H8F3NS/c11-10(12,13)8-6-15-9(14-8)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyMQRNUZNDJPVWAL-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-4-(trifluoromethyl)-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

Related Compounds

Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
5-Methyl-2-phenyl-4,5-dihydro-1,3-thiazole
CID 211414
4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-phenyl-
CID 120429
Thiazole, 4,5-dihydro-2-(4-methylphenyl)-
CID 202678
Thiazole, 4,5-dihydro-2-(4-fluorophenyl)-
CID 3024538
2-Phenyl-3a,4,5,6,7,7a-hexahydro-benzothiazole
CID 263630
Thiazolium, 4,5-dihydro-3-methyl-2-phenyl-, iodide
CID 213651
Thiazole, 4,5-dihydro-2-(3-methylphenyl)-
CID 3024542
3-Thiazoline, 2-ethyl-4-phenyl-
CID 3050568
Benzothiazole, 3a,4,5,6,7,7a-hexahydro-2-phenyl-, cis-
CID 3059924
Thiazolium, 2-(4-fluorophenyl)-4,5-dihydro-3-methyl-, iodide
CID 13425513
Thiazolium, 4,5-dihydro-3-methyl-2-(4-methylphenyl)-, iodide
CID 13425519

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole (CID 134159168) is 2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole is FC(F)(F)C1CSC(c2ccccc2)=N1.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is MQRNUZNDJPVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NS/c11-10(12,13)8-6-15-9(14-8)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 231.24 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 2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 134159168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).