5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione

C19H18ClNOS2 — CID 123952076

IUPAC5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione
SMILESS=C1SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)CN1C1CCCC1
InChIInChI=1S/C19H18ClNOS2/c20-14-7-5-13(6-8-14)18-10-9-16(22-18)11-17-12-21(19(23)24-17)15-3-1-2-4-15/h5-11,15H,1-4,12H2
InChIKeyMIDQOOAIUPHAOD-UHFFFAOYSA-N
MW375.95 g/mol
LogP6.22
Rot. Bonds3

About 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione

5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione (PubChem CID 123952076) has the molecular formula C19H18ClNOS2 and a molecular weight of 375.95 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione
PubChem CID123952076
Molecular FormulaC19H18ClNOS2
Molecular Weight375.95 g/mol
Exact Mass375.05
IUPAC Name5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione
SMILESS=C1SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)CN1C1CCCC1
InChIInChI=1S/C19H18ClNOS2/c20-14-7-5-13(6-8-14)18-10-9-16(22-18)11-17-12-21(19(23)24-17)15-3-1-2-4-15/h5-11,15H,1-4,12H2
InChIKeyMIDQOOAIUPHAOD-UHFFFAOYSA-N
XLogP6.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.95
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 126084199
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 4287034
(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6036943
(5E)-3-cyclooctyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 87453044
(5Z)-3-(2-adamantyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 89485096
(5E)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50870472
3-cyclohexyl-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 74830408
4-[5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 3750126
2-chloro-5-[5-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 2915204
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 147660228
4-chloro-N-[(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 126349388
(5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6022754

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione?
The IUPAC name of 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione (CID 123952076) is 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione is S=C1SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)CN1C1CCCC1.
What is the InChIKey of 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione?
The InChIKey is MIDQOOAIUPHAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNOS2/c20-14-7-5-13(6-8-14)18-10-9-16(22-18)11-17-12-21(19(23)24-17)15-3-1-2-4-15/h5-11,15H,1-4,12H2.
What are the key properties of 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione?
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione has a molecular weight of 375.95 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 123952076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).