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

C16H12F3NS — CID 132573174

IUPAC5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)c1ccc(C2=NCC(c3ccccc3)S2)cc1
InChIInChI=1S/C16H12F3NS/c17-16(18,19)13-8-6-12(7-9-13)15-20-10-14(21-15)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyKOSLXIFSMWKVMJ-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.94
Rot. Bonds2

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

5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 132573174) has the molecular formula C16H12F3NS and a molecular weight of 307.34 g/mol. Its IUPAC name is 5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID132573174
Molecular FormulaC16H12F3NS
Molecular Weight307.34 g/mol
Exact Mass307.06
IUPAC Name5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)c1ccc(C2=NCC(c3ccccc3)S2)cc1
InChIInChI=1S/C16H12F3NS/c17-16(18,19)13-8-6-12(7-9-13)15-20-10-14(21-15)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyKOSLXIFSMWKVMJ-UHFFFAOYSA-N
XLogP4.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazole, 4,5-dihydro-2-(4-methylphenyl)-
CID 202678
Thiazole, 4,5-dihydro-2-(4-fluorophenyl)-
CID 3024538
4,4,5-Trifluoro-5-(4-methylphenyl)-2-phenyl-1,3-thiazole
CID 172464136
5-Phenyl-3-{[4-(trifluoromethyl)benzylidene]amino}-1,3-thiazolidin-2-iminium bromide
CID 146037795
5-phenyl-2-(trifluoromethylsulfanylmethyl)-3,4-dihydro-2H-pyrrole
CID 176438265
benzyl (E)-N-(trifluoromethyl)benzenecarboximidothioate
CID 176438469
dodecyl (E)-N-(trifluoromethyl)benzenecarboximidothioate
CID 176438470
4,5-Dihydro-4-benzyl-2-phenyl thiazole
CID 14937784
Diphenylthiazoline
CID 129773501
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazole
CID 76312493
2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole
CID 76319736
2-(2,6-Difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-thiazole
CID 9802173

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole (CID 132573174) is 5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole is FC(F)(F)c1ccc(C2=NCC(c3ccccc3)S2)cc1.
What is the InChIKey of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is KOSLXIFSMWKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NS/c17-16(18,19)13-8-6-12(7-9-13)15-20-10-14(21-15)11-4-2-1-3-5-11/h1-9,14H,10H2.
What are the key properties of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 307.34 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132573174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).