5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile

C23H24N4O3S2 — CID 23473276

IUPAC5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile
SMILESCOCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S
InChIInChI=1S/C23H24N4O3S2/c1-14-5-7-16(8-6-14)13-25-20-17(15(2)18(12-24)21(28)26(20)3)11-19-22(29)27(9-10-30-4)23(31)32-19/h5-8,11,25H,9-10,13H2,1-4H3/b19-11-
InChIKeyODRLAFAPNMXZBD-ODLFYWEKSA-N
MW468.60 g/mol
LogP3.33
Rot. Bonds7

About 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile

5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile (PubChem CID 23473276) has the molecular formula C23H24N4O3S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile
PubChem CID23473276
Molecular FormulaC23H24N4O3S2
Molecular Weight468.60 g/mol
Exact Mass468.13
IUPAC Name5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile
SMILESCOCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S
InChIInChI=1S/C23H24N4O3S2/c1-14-5-7-16(8-6-14)13-25-20-17(15(2)18(12-24)21(28)26(20)3)11-19-22(29)27(9-10-30-4)23(31)32-19/h5-8,11,25H,9-10,13H2,1-4H3/b19-11-
InChIKeyODRLAFAPNMXZBD-ODLFYWEKSA-N
XLogP3.33
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-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

5-[(Z)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile
CID 23473285
5-[(E)-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-[(4-methoxyphenyl)methylamino]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 18831416
6-[(4-methoxyphenyl)methylamino]-1,4-dimethyl-2-oxo-5-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
CID 18831389
1-butyl-6-[(4-fluorophenyl)methylamino]-5-[(E)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 18831960
6-[(4-methoxyphenyl)methylamino]-1,4-dimethyl-5-[(E)-(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile
CID 18831385
5-[(E)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-[(4-methoxyphenyl)methylamino]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 18831404
6-[(4-fluorophenyl)methylamino]-1,4-dimethyl-5-[(E)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile
CID 18831425
6-[(4-fluorophenyl)methylamino]-5-[(E)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 18831422
6-(1,3-benzodioxol-5-ylmethylamino)-1,4-dimethyl-5-[(E)-[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile
CID 18831375
6-[(4-fluorophenyl)methylamino]-1,4-dimethyl-2-oxo-5-[(E)-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
CID 18831424
6-(1,3-benzodioxol-5-ylmethylamino)-5-[(E)-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 18831378
5-[(E)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-[(4-fluorophenyl)methylamino]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 18831446

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile (CID 23473276) is 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile is COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S.
What is the InChIKey of 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile?
The InChIKey is ODRLAFAPNMXZBD-ODLFYWEKSA-N. The full InChI is InChI=1S/C23H24N4O3S2/c1-14-5-7-16(8-6-14)13-25-20-17(15(2)18(12-24)21(28)26(20)3)11-19-22(29)27(9-10-30-4)23(31)32-19/h5-8,11,25H,9-10,13H2,1-4H3/b19-11-.
What are the key properties of 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile?
5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile has a molecular weight of 468.60 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-[(4-methylphenyl)methylamino]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 23473276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).