2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole

C15H11F2NS — CID 76319736

IUPAC2-(2,6-difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole
SMILESC1C(SC(=N1)C2=C(C=CC=C2F)F)C3=CC=CC=C3
InChIInChI=1S/C15H11F2NS/c16-11-7-4-8-12(17)14(11)15-18-9-13(19-15)10-5-2-1-3-6-10/h1-8,13H,9H2
InChIKeyVWMYICUUTTWPLA-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.70
Rot. Bonds2

About 2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole

2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 76319736) has the molecular formula C15H11F2NS and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID76319736
Molecular FormulaC15H11F2NS
Molecular Weight275.32 g/mol
Exact Mass275.06
IUPAC Name2-(2,6-difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole
SMILESC1C(SC(=N1)C2=C(C=CC=C2F)F)C3=CC=CC=C3
InChIInChI=1S/C15H11F2NS/c16-11-7-4-8-12(17)14(11)15-18-9-13(19-15)10-5-2-1-3-6-10/h1-8,13H,9H2
InChIKeyVWMYICUUTTWPLA-UHFFFAOYSA-N
XLogP3.70
TPSA37.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity331

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
5-Methyl-2-phenyl-4,5-dihydro-1,3-thiazole
CID 211414
Thiazole, 4,5-dihydro-2-(4-fluorophenyl)-
CID 3024538
2-Phenyl-3a,4,5,6,7,7a-hexahydro-benzothiazole
CID 263630
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
4,4,5-Trifluoro-5-(4-methylphenyl)-2-phenyl-1,3-thiazole
CID 172464136
2-Phenyl-5,6-dihydro-4h-1,3-thiazine
CID 241006
2-[2-(4-Fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole
CID 101184938
benzyl (E)-N-(trifluoromethyl)benzenecarboximidothioate
CID 176438469
4,5-Dihydro-4-benzyl-2-phenyl thiazole
CID 14937784
4-Benzyl-2-methyl-4,5-dihydro-1,3-thiazole
CID 21607166

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole (CID 76319736) is 2-(2,6-difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole is C1C(SC(=N1)C2=C(C=CC=C2F)F)C3=CC=CC=C3.
What is the InChIKey of 2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is VWMYICUUTTWPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NS/c16-11-7-4-8-12(17)14(11)15-18-9-13(19-15)10-5-2-1-3-6-10/h1-8,13H,9H2.
What are the key properties of 2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole?
2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 275.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 76319736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).