(5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C18H16FNOS2 — CID 126152186

IUPAC(5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1[C@@H](Cc2ccc(F)cc2)SC(=S)N1CCc1ccccc1
InChIInChI=1S/C18H16FNOS2/c19-15-8-6-14(7-9-15)12-16-17(21)20(18(22)23-16)11-10-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1
InChIKeyQISVICHHPNBIRW-MRXNPFEDSA-N
MW345.46 g/mol
LogP3.84
Rot. Bonds5

About (5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 126152186) has the molecular formula C18H16FNOS2 and a molecular weight of 345.46 g/mol. Its IUPAC name is (5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID126152186
Molecular FormulaC18H16FNOS2
Molecular Weight345.46 g/mol
Exact Mass345.07
IUPAC Name(5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1[C@@H](Cc2ccc(F)cc2)SC(=S)N1CCc1ccccc1
InChIInChI=1S/C18H16FNOS2/c19-15-8-6-14(7-9-15)12-16-17(21)20(18(22)23-16)11-10-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1
InChIKeyQISVICHHPNBIRW-MRXNPFEDSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 126152186) is (5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1[C@@H](Cc2ccc(F)cc2)SC(=S)N1CCc1ccccc1.
What is the InChIKey of (5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is QISVICHHPNBIRW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16FNOS2/c19-15-8-6-14(7-9-15)12-16-17(21)20(18(22)23-16)11-10-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1.
What are the key properties of (5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 345.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-fluorophenyl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 126152186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).