(5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one

C15H21NOS2 — CID 6262649

IUPAC(5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCCCCN1C(=O)/C(=C\C2CC=CCC2)SC1=S
InChIInChI=1S/C15H21NOS2/c1-2-3-7-10-16-14(17)13(19-15(16)18)11-12-8-5-4-6-9-12/h4-5,11-12H,2-3,6-10H2,1H3/b13-11+
InChIKeyHVLIVSQAZKJDFN-ACCUITESSA-N
MW295.47 g/mol
LogP4.28
Rot. Bonds5

About (5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6262649) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6262649
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC Name(5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCCCCN1C(=O)/C(=C\C2CC=CCC2)SC1=S
InChIInChI=1S/C15H21NOS2/c1-2-3-7-10-16-14(17)13(19-15(16)18)11-12-8-5-4-6-9-12/h4-5,11-12H,2-3,6-10H2,1H3/b13-11+
InChIKeyHVLIVSQAZKJDFN-ACCUITESSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6262649) is (5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one is CCCCCN1C(=O)/C(=C\C2CC=CCC2)SC1=S.
What is the InChIKey of (5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HVLIVSQAZKJDFN-ACCUITESSA-N. The full InChI is InChI=1S/C15H21NOS2/c1-2-3-7-10-16-14(17)13(19-15(16)18)11-12-8-5-4-6-9-12/h4-5,11-12H,2-3,6-10H2,1H3/b13-11+.
What are the key properties of (5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 295.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(cyclohex-3-en-1-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6262649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).