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

C15H17NO2S2 — CID 2142586

IUPAC(5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1
InChIInChI=1S/C15H17NO2S2/c1-10-7-8-12(18-10)9-13-14(17)16(15(19)20-13)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3/b13-9+
InChIKeyKOIYSFDNAAXVLR-UKTHLTGXSA-N
MW307.44 g/mol
LogP4.12
Rot. Bonds2

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

(5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2142586) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2142586
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name(5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1
InChIInChI=1S/C15H17NO2S2/c1-10-7-8-12(18-10)9-13-14(17)16(15(19)20-13)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3/b13-9+
InChIKeyKOIYSFDNAAXVLR-UKTHLTGXSA-N
XLogP4.12
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 1217918
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CID 1328586
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CID 5789606
CID 5789606
CID 6236919
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CID 1556072
CID 1556072
CID 1646312
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CID 2926049
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CID 1329131
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CID 6015867
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CID 3776686
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Frequently Asked Questions

What is the IUPAC name of (5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2142586) is (5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1.
What is the InChIKey of (5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is KOIYSFDNAAXVLR-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-10-7-8-12(18-10)9-13-14(17)16(15(19)20-13)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3/b13-9+.
What are the key properties of (5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 307.44 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2142586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).