5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

C9H7NO2S2 — CID 2886693

IUPAC5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCc1ccc(C=C2SC(=O)NC2=S)o1
InChIInChI=1S/C9H7NO2S2/c1-5-2-3-6(12-5)4-7-8(13)10-9(11)14-7/h2-4H,1H3,(H,10,11,13)
InChIKeyRFQYZZVWLNKDCK-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.71
Rot. Bonds1

About 5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 2886693) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID2886693
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCc1ccc(C=C2SC(=O)NC2=S)o1
InChIInChI=1S/C9H7NO2S2/c1-5-2-3-6(12-5)4-7-8(13)10-9(11)14-7/h2-4H,1H3,(H,10,11,13)
InChIKeyRFQYZZVWLNKDCK-UHFFFAOYSA-N
XLogP2.71
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_E(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 4665185
4-[5-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 6196566
(5E)-3-(2,5-dimethylpyrrol-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126202665
(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 1365504
2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 155899188
(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 2019480
(5E)-3-(2,6-dimethylphenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838956
5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6614782
2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 1365449
(5Z)-3-(4-hydroxyphenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1366139
5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328225
5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23740525

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of 5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 2886693) is 5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is Cc1ccc(C=C2SC(=O)NC2=S)o1.
What is the InChIKey of 5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is RFQYZZVWLNKDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-5-2-3-6(12-5)4-7-8(13)10-9(11)14-7/h2-4H,1H3,(H,10,11,13).
What are the key properties of 5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 2886693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).