5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile

C25H32N4O2S2 — CID 6315960

IUPAC5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(N2CC(C)CC(C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O
InChIInChI=1S/C25H32N4O2S2/c1-5-28-22(27-13-15(2)10-16(3)14-27)19(17(4)20(12-26)23(28)30)11-21-24(31)29(25(32)33-21)18-8-6-7-9-18/h11,15-16,18H,5-10,13-14H2,1-4H3/b21-11-
InChIKeyXWVOGPXHGPPJSS-NHDPSOOVSA-N
MW484.69 g/mol
LogP4.67
Rot. Bonds4

About 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile

5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 6315960) has the molecular formula C25H32N4O2S2 and a molecular weight of 484.69 g/mol. Its IUPAC name is 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID6315960
Molecular FormulaC25H32N4O2S2
Molecular Weight484.69 g/mol
Exact Mass484.20
IUPAC Name5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(N2CC(C)CC(C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O
InChIInChI=1S/C25H32N4O2S2/c1-5-28-22(27-13-15(2)10-16(3)14-27)19(17(4)20(12-26)23(28)30)11-21-24(31)29(25(32)33-21)18-8-6-7-9-18/h11,15-16,18H,5-10,13-14H2,1-4H3/b21-11-
InChIKeyXWVOGPXHGPPJSS-NHDPSOOVSA-N
XLogP4.67
TPSA69.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile with MolForge

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Related Compounds

1-butyl-5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 5266782
1-butyl-5-[(E)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 23430532
6-(azepan-1-yl)-5-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
CID 5265253
6-(azepan-1-yl)-5-[(E)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
CID 23429493
6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-5-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 5264920
5-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxo-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 6316120
5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
CID 6315937
1-butyl-5-[(E)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile
CID 23430314
ethyl 1-[5-cyano-3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-oxo-2-pyridinyl]piperidine-4-carboxylate
CID 6316082
6-(azepan-1-yl)-5-[(E)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 23430124
5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-6-(3-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile
CID 5264309
6-(4-benzylpiperazin-1-yl)-5-[(E)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
CID 23429199

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile (CID 6315960) is 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile is CCn1c(N2CC(C)CC(C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O.
What is the InChIKey of 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XWVOGPXHGPPJSS-NHDPSOOVSA-N. The full InChI is InChI=1S/C25H32N4O2S2/c1-5-28-22(27-13-15(2)10-16(3)14-27)19(17(4)20(12-26)23(28)30)11-21-24(31)29(25(32)33-21)18-8-6-7-9-18/h11,15-16,18H,5-10,13-14H2,1-4H3/b21-11-.
What are the key properties of 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile?
5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 484.69 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 6315960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).