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

C15H12FNS — CID 132573166

IUPAC5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole
SMILESFc1ccc(C2CN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C15H12FNS/c16-13-8-6-11(7-9-13)14-10-17-15(18-14)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyOTUSTXRIEFOFPQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.06
Rot. Bonds2

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

5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 132573166) has the molecular formula C15H12FNS and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID132573166
Molecular FormulaC15H12FNS
Molecular Weight257.33 g/mol
Exact Mass257.07
IUPAC Name5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole
SMILESFc1ccc(C2CN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C15H12FNS/c16-13-8-6-11(7-9-13)14-10-17-15(18-14)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyOTUSTXRIEFOFPQ-UHFFFAOYSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-methylphenyl)-
CID 202678
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
1-Methylthio-3,4-dihydroisoquinoline
CID 12251526
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole (CID 132573166) is 5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole is Fc1ccc(C2CN=C(c3ccccc3)S2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is OTUSTXRIEFOFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNS/c16-13-8-6-11(7-9-13)14-10-17-15(18-14)12-4-2-1-3-5-12/h1-9,14H,10H2.
What are the key properties of 5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole?
5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 257.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132573166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).