2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile

C20H18N4OS — CID 3124675

IUPAC2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCCCn1c(=C(C#N)C#N)s/c(=C2\C=Cc3ccccc3N2CC)c1=O
InChIInChI=1S/C20H18N4OS/c1-3-11-24-19(25)18(26-20(24)15(12-21)13-22)17-10-9-14-7-5-6-8-16(14)23(17)4-2/h5-10H,3-4,11H2,1-2H3/b18-17+
InChIKeyGGPGSIWZJAHUDJ-ISLYRVAYSA-N
MW362.46 g/mol
LogP2.18
Rot. Bonds3

About 2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 3124675) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID3124675
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCCCn1c(=C(C#N)C#N)s/c(=C2\C=Cc3ccccc3N2CC)c1=O
InChIInChI=1S/C20H18N4OS/c1-3-11-24-19(25)18(26-20(24)15(12-21)13-22)17-10-9-14-7-5-6-8-16(14)23(17)4-2/h5-10H,3-4,11H2,1-2H3/b18-17+
InChIKeyGGPGSIWZJAHUDJ-ISLYRVAYSA-N
XLogP2.18
TPSA72.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 3124675) is 2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile is CCCn1c(=C(C#N)C#N)s/c(=C2\C=Cc3ccccc3N2CC)c1=O.
What is the InChIKey of 2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is GGPGSIWZJAHUDJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-3-11-24-19(25)18(26-20(24)15(12-21)13-22)17-10-9-14-7-5-6-8-16(14)23(17)4-2/h5-10H,3-4,11H2,1-2H3/b18-17+.
What are the key properties of 2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 362.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-(1-ethylquinolin-2-ylidene)-4-oxo-3-propyl-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 3124675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).