5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C19H18N4O3S2 — CID 23473205

IUPAC5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccco2)SC1=S
InChIInChI=1S/C19H18N4O3S2/c1-4-23-18(25)15(28-19(23)27)8-13-11(2)14(9-20)17(24)22(3)16(13)21-10-12-6-5-7-26-12/h5-8,21H,4,10H2,1-3H3/b15-8-
InChIKeyQWFUBOIWQDIDJT-NVNXTCNLSA-N
MW414.51 g/mol
LogP2.99
Rot. Bonds5

About 5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 23473205) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID23473205
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccco2)SC1=S
InChIInChI=1S/C19H18N4O3S2/c1-4-23-18(25)15(28-19(23)27)8-13-11(2)14(9-20)17(24)22(3)16(13)21-10-12-6-5-7-26-12/h5-8,21H,4,10H2,1-3H3/b15-8-
InChIKeyQWFUBOIWQDIDJT-NVNXTCNLSA-N
XLogP2.99
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.99
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-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile with MolForge

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Related Compounds

1-ethyl-6-(furan-2-ylmethylamino)-5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 23473249
1-ethyl-6-(furan-2-ylmethylamino)-4-methyl-2-oxo-5-[(Z)-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
CID 23473241
1,4-dimethyl-2-oxo-5-[(E)-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(2-phenylethylamino)pyridine-3-carbonitrile
CID 18831230
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
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
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-[(2-chlorophenyl)methylamino]-1,4-dimethyl-2-oxo-5-[(E)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
CID 18831469
6-(benzylamino)-1-ethyl-4-methyl-2-oxo-5-[(E)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
CID 18831052
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-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-(benzylamino)-5-[(E)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-2-oxopyridine-3-carbonitrile
CID 18831041

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 23473205) is 5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccco2)SC1=S.
What is the InChIKey of 5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is QWFUBOIWQDIDJT-NVNXTCNLSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-4-23-18(25)15(28-19(23)27)8-13-11(2)14(9-20)17(24)22(3)16(13)21-10-12-6-5-7-26-12/h5-8,21H,4,10H2,1-3H3/b15-8-.
What are the key properties of 5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 414.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(furan-2-ylmethylamino)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 23473205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).