(5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

C20H19FN2OS2 — CID 59571819

IUPAC(5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3ccc(F)cc3)s2)NC(=S)N1C1CCCCC1
InChIInChI=1S/C20H19FN2OS2/c21-14-8-6-13(7-9-14)18-11-10-16(26-18)12-17-19(24)23(20(25)22-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,25)/b17-12-
InChIKeyGXLRFCKZUBKWIR-ATVHPVEESA-N
MW386.52 g/mol
LogP4.94
Rot. Bonds3

About (5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 59571819) has the molecular formula C20H19FN2OS2 and a molecular weight of 386.52 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID59571819
Molecular FormulaC20H19FN2OS2
Molecular Weight386.52 g/mol
Exact Mass386.09
IUPAC Name(5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3ccc(F)cc3)s2)NC(=S)N1C1CCCCC1
InChIInChI=1S/C20H19FN2OS2/c21-14-8-6-13(7-9-14)18-11-10-16(26-18)12-17-19(24)23(20(25)22-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,25)/b17-12-
InChIKeyGXLRFCKZUBKWIR-ATVHPVEESA-N
XLogP4.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-Fluorobenzyl)-5-(2-thienylmethylene)-2,4-imidazolidinedione
CID 900263
(5E)-3-[(2-fluorophenyl)methyl]-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 751975
3-(3-Methylbenzyl)-5-[(5-methyl-2-thienyl)methylene]-2,4-imidazolidinedione
CID 1815730
(5E)-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261711
(5E)-5-[[5-(3,4-difluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261712
3-(2-Fluorobenzyl)-5-(2-thienylmethylene)-2,4-imidazolidinedione
CID 2186734
(5Z)-3-(4-fluorobenzyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 5400802
3-(4-Fluorobenzyl)-5-[(3-methyl-2-thienyl)methylene]-2,4-imidazolidinedione
CID 5736321
(5E)-3-benzyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 6292742
(5E)-5-[[5-(3-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261713
2-[(4E)-4-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-phenylpropanoic acid
CID 57994045
(5E)-5-[(5-phenylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72793026

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one (CID 59571819) is (5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1/C(=C/c2ccc(-c3ccc(F)cc3)s2)NC(=S)N1C1CCCCC1.
What is the InChIKey of (5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GXLRFCKZUBKWIR-ATVHPVEESA-N. The full InChI is InChI=1S/C20H19FN2OS2/c21-14-8-6-13(7-9-14)18-11-10-16(26-18)12-17-19(24)23(20(25)22-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,25)/b17-12-.
What are the key properties of (5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 386.52 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 59571819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).