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

C17H12F3NOS2 — CID 2463018

IUPAC(5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1[C@@H](Cc2cccc(C(F)(F)F)c2)SC(=S)N1c1ccccc1
InChIInChI=1S/C17H12F3NOS2/c18-17(19,20)12-6-4-5-11(9-12)10-14-15(22)21(16(23)24-14)13-7-2-1-3-8-13/h1-9,14H,10H2/t14-/m1/s1
InChIKeyIKYRPEPKAAQHAO-CQSZACIVSA-N
MW367.42 g/mol
LogP4.68
Rot. Bonds3

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

(5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 2463018) has the molecular formula C17H12F3NOS2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID2463018
Molecular FormulaC17H12F3NOS2
Molecular Weight367.42 g/mol
Exact Mass367.03
IUPAC Name(5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1[C@@H](Cc2cccc(C(F)(F)F)c2)SC(=S)N1c1ccccc1
InChIInChI=1S/C17H12F3NOS2/c18-17(19,20)12-6-4-5-11(9-12)10-14-15(22)21(16(23)24-14)13-7-2-1-3-8-13/h1-9,14H,10H2/t14-/m1/s1
InChIKeyIKYRPEPKAAQHAO-CQSZACIVSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.68
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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Related Compounds

(5S)-3-phenyl-2-sulfanylidene-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidin-4-one
CID 41121239
ethyl 4-[[2-cyano-2-[4-oxo-3-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]acetyl]amino]benzoate
CID 4871592
(5S)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555574
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide
CID 18874970
5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 5158922
[4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]carbamic acid
CID 174560495
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)acetamide
CID 18875659
(2Z)-2-cyano-N-(3-methylphenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]acetamide
CID 18875728
2-hydroxy-4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-5-carbothioyl]amino]benzoic acid
CID 44561740
5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 172654120
(2Z)-2-[(5S)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide
CID 98158239
sodium 4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-5-carbothioyl]amino]benzenesulfonate
CID 44561738

Frequently Asked Questions

What is the IUPAC name of (5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 2463018) is (5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C1[C@@H](Cc2cccc(C(F)(F)F)c2)SC(=S)N1c1ccccc1.
What is the InChIKey of (5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is IKYRPEPKAAQHAO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H12F3NOS2/c18-17(19,20)12-6-4-5-11(9-12)10-14-15(22)21(16(23)24-14)13-7-2-1-3-8-13/h1-9,14H,10H2/t14-/m1/s1.
What are the key properties of (5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
(5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 367.42 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2463018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).