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

C24H32N4O2S2 — CID 6315937

IUPAC5-[(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
SMILESCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CC(C)CC(C)C2)SC1=S
InChIInChI=1S/C24H32N4O2S2/c1-6-8-9-28-23(30)20(32-24(28)31)11-18-17(5)19(12-25)22(29)27(7-2)21(18)26-13-15(3)10-16(4)14-26/h11,15-16H,6-10,13-14H2,1-5H3/b20-11-
InChIKeyIRPKATQIJVBRMK-JAIQZWGSSA-N
MW472.68 g/mol
LogP4.53
Rot. Bonds6

About 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

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 (PubChem CID 6315937) has the molecular formula C24H32N4O2S2 and a molecular weight of 472.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID6315937
Molecular FormulaC24H32N4O2S2
Molecular Weight472.68 g/mol
Exact Mass472.20
IUPAC Name5-[(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
SMILESCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CC(C)CC(C)C2)SC1=S
InChIInChI=1S/C24H32N4O2S2/c1-6-8-9-28-23(30)20(32-24(28)31)11-18-17(5)19(12-25)22(29)27(7-2)21(18)26-13-15(3)10-16(4)14-26/h11,15-16H,6-10,13-14H2,1-5H3/b20-11-
InChIKeyIRPKATQIJVBRMK-JAIQZWGSSA-N
XLogP4.53
TPSA69.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.68
LogP ≤ 54.53
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-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 with MolForge

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

Launch Full Analysis

Related Compounds

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
6-(3,5-dimethylpiperidin-1-yl)-5-[(E)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 23429874
1-butyl-6-(3,5-dimethylpiperidin-1-yl)-5-[(E)-[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 23430527
1-butyl-6-(3,5-dimethylpiperidin-1-yl)-4-methyl-2-oxo-5-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
CID 5266761
6-[(5Z)-5-[[1-butyl-5-cyano-2-(3,5-dimethylpiperidin-1-yl)-4-methyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 6317793
1-butyl-6-(3,5-dimethylpiperidin-1-yl)-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile
CID 5266751
5-[(E)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxo-6-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 23429076
1-butyl-5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(2,6-dimethylmorpholin-4-yl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 6318147
5-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxo-6-piperidin-1-ylpyridine-3-carbonitrile
CID 3356218
1-ethyl-5-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile
CID 3358065
5-[(Z)-(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile
CID 6315739
1-ethyl-4-methyl-6-(4-methylpiperidin-1-yl)-5-[(E)-(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile
CID 23429111

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CC(C)CC(C)C2)SC1=S.
What is the InChIKey of 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?
The InChIKey is IRPKATQIJVBRMK-JAIQZWGSSA-N. The full InChI is InChI=1S/C24H32N4O2S2/c1-6-8-9-28-23(30)20(32-24(28)31)11-18-17(5)19(12-25)22(29)27(7-2)21(18)26-13-15(3)10-16(4)14-26/h11,15-16H,6-10,13-14H2,1-5H3/b20-11-.
What are the key properties of 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?
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 has a molecular weight of 472.68 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 6315937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).