(5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

C14H17N3OS2 — CID 5469476

IUPAC(5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESO=C1/C(=C/c2cccs2)NC(=S)N1CN1CCCCC1
InChIInChI=1S/C14H17N3OS2/c18-13-12(9-11-5-4-8-20-11)15-14(19)17(13)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2,(H,15,19)/b12-9-
InChIKeyFHXQLYZETHOSEY-XFXZXTDPSA-N
MW307.44 g/mol
LogP2.25
Rot. Bonds3

About (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

(5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (PubChem CID 5469476) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
PubChem CID5469476
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name(5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESO=C1/C(=C/c2cccs2)NC(=S)N1CN1CCCCC1
InChIInChI=1S/C14H17N3OS2/c18-13-12(9-11-5-4-8-20-11)15-14(19)17(13)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2,(H,15,19)/b12-9-
InChIKeyFHXQLYZETHOSEY-XFXZXTDPSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (CID 5469476) is (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is O=C1/C(=C/c2cccs2)NC(=S)N1CN1CCCCC1.
What is the InChIKey of (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The InChIKey is FHXQLYZETHOSEY-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H17N3OS2/c18-13-12(9-11-5-4-8-20-11)15-14(19)17(13)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2,(H,15,19)/b12-9-.
What are the key properties of (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
(5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one has a molecular weight of 307.44 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 5469476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).