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

C11H8F3NOS2 — CID 23586154

IUPAC(5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S[C@@H]1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-4,8H,5H2,(H,15,16,17)/t8-/m1/s1
InChIKeyHBYVUUWMCCSRBI-MRVPVSSYSA-N
MW291.32 g/mol
LogP2.76
Rot. Bonds2

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

(5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 23586154) has the molecular formula C11H8F3NOS2 and a molecular weight of 291.32 g/mol. Its IUPAC name is (5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID23586154
Molecular FormulaC11H8F3NOS2
Molecular Weight291.32 g/mol
Exact Mass291.00
IUPAC Name(5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S[C@@H]1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-4,8H,5H2,(H,15,16,17)/t8-/m1/s1
InChIKeyHBYVUUWMCCSRBI-MRVPVSSYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 23586154) is (5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C1NC(=S)S[C@@H]1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is HBYVUUWMCCSRBI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-4,8H,5H2,(H,15,16,17)/t8-/m1/s1.
What are the key properties of (5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
(5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 291.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 23586154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).