(5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

C15H18N2OS3 — CID 59150779

IUPAC(5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2csc(C3CCCCC3)n2)SC1=S
InChIInChI=1S/C15H18N2OS3/c1-2-17-14(18)12(21-15(17)19)8-11-9-20-13(16-11)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/b12-8-
InChIKeyVBDDSXVHWARTEG-WQLSENKSSA-N
MW338.52 g/mol
LogP4.41
Rot. Bonds3

About (5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 59150779) has the molecular formula C15H18N2OS3 and a molecular weight of 338.52 g/mol. Its IUPAC name is (5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID59150779
Molecular FormulaC15H18N2OS3
Molecular Weight338.52 g/mol
Exact Mass338.06
IUPAC Name(5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2csc(C3CCCCC3)n2)SC1=S
InChIInChI=1S/C15H18N2OS3/c1-2-17-14(18)12(21-15(17)19)8-11-9-20-13(16-11)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/b12-8-
InChIKeyVBDDSXVHWARTEG-WQLSENKSSA-N
XLogP4.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 59150779) is (5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2csc(C3CCCCC3)n2)SC1=S.
What is the InChIKey of (5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is VBDDSXVHWARTEG-WQLSENKSSA-N. The full InChI is InChI=1S/C15H18N2OS3/c1-2-17-14(18)12(21-15(17)19)8-11-9-20-13(16-11)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/b12-8-.
What are the key properties of (5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 338.52 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 59150779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).