(5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one

C15H19N3OS2 — CID 5469489

IUPAC(5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one
SMILESCSC1=N/C(=C\c2cccs2)C(=O)N1CN1CCCCC1
InChIInChI=1S/C15H19N3OS2/c1-20-15-16-13(10-12-6-5-9-21-12)14(19)18(15)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/b13-10-
InChIKeyZPGSTKDPLVBGHF-RAXLEYEMSA-N
MW321.47 g/mol
LogP3.09
Rot. Bonds3

About (5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one

(5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one (PubChem CID 5469489) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is (5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one
PubChem CID5469489
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name(5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one
SMILESCSC1=N/C(=C\c2cccs2)C(=O)N1CN1CCCCC1
InChIInChI=1S/C15H19N3OS2/c1-20-15-16-13(10-12-6-5-9-21-12)14(19)18(15)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/b13-10-
InChIKeyZPGSTKDPLVBGHF-RAXLEYEMSA-N
XLogP3.09
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-acetylpiperazin-1-yl)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one
CID 1586676
(E)-3-(4-(4-oxo-5-(thiophen-2-ylmethylene)-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
CID 5765377
(4Z)-2-piperazin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136273060
(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 677356
(5Z)-2-methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one
CID 5469483
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 701623
(5Z)-2-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 2716862
2-(4-methyl-1-piperidinyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 5286753
3-(1-Piperidinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469476
(5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 5470559
(5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 5470565
2-(1-Piperidinyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135493936

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The IUPAC name of (5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one (CID 5469489) is (5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one.
What is the SMILES notation for (5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The canonical SMILES for (5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one is CSC1=N/C(=C\c2cccs2)C(=O)N1CN1CCCCC1.
What is the InChIKey of (5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The InChIKey is ZPGSTKDPLVBGHF-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-20-15-16-13(10-12-6-5-9-21-12)14(19)18(15)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/b13-10-.
What are the key properties of (5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one?
(5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one has a molecular weight of 321.47 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one is sourced from PubChem (CID 5469489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).