(5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

C15H15NO2S2 — CID 9247270

IUPAC(5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccc([C@@H]3C[C@H]3C)o2)SC1=S
InChIInChI=1S/C15H15NO2S2/c1-3-6-16-14(17)13(20-15(16)19)8-10-4-5-12(18-10)11-7-9(11)2/h3-5,8-9,11H,1,6-7H2,2H3/b13-8-/t9-,11-/m1/s1
InChIKeyPCBHCTKSYSXCRQ-ANYQKZHNSA-N
MW305.42 g/mol
LogP3.79
Rot. Bonds4

About (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 9247270) has the molecular formula C15H15NO2S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID9247270
Molecular FormulaC15H15NO2S2
Molecular Weight305.42 g/mol
Exact Mass305.05
IUPAC Name(5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccc([C@@H]3C[C@H]3C)o2)SC1=S
InChIInChI=1S/C15H15NO2S2/c1-3-6-16-14(17)13(20-15(16)19)8-10-4-5-12(18-10)11-7-9(11)2/h3-5,8-9,11H,1,6-7H2,2H3/b13-8-/t9-,11-/m1/s1
InChIKeyPCBHCTKSYSXCRQ-ANYQKZHNSA-N
XLogP3.79
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5-[(5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate
CID 9247391
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6378534
4-[(5Z)-5-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 9247409
(5Z)-5-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 9247243
(5E)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1389304
(2R)-2-[(5Z)-5-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid
CID 135700621
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1498484
(5Z)-5-[[5-[(4-chlorophenyl)methylsulfanyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 46257305
ethyl 4-[5-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
CID 1252517
N-hydroxy-4-[5-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzamide
CID 23643563
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5452661
5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 2929956

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 9247270) is (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2ccc([C@@H]3C[C@H]3C)o2)SC1=S.
What is the InChIKey of (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is PCBHCTKSYSXCRQ-ANYQKZHNSA-N. The full InChI is InChI=1S/C15H15NO2S2/c1-3-6-16-14(17)13(20-15(16)19)8-10-4-5-12(18-10)11-7-9(11)2/h3-5,8-9,11H,1,6-7H2,2H3/b13-8-/t9-,11-/m1/s1.
What are the key properties of (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 305.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 9247270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).