(5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one

C16H16N2O2S — CID 3098234

IUPAC(5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S
InChIInChI=1S/C16H16N2O2S/c1-3-17-12-8-6-5-7-11(12)9-10-13(17)14-15(19)18(4-2)16(21)20-14/h5-10H,3-4H2,1-2H3/b14-13-
InChIKeyFYHWWYUCIGKACZ-YPKPFQOOSA-N
MW300.38 g/mol
LogP2.91
Rot. Bonds2

About (5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one

(5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 3098234) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID3098234
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S
InChIInChI=1S/C16H16N2O2S/c1-3-17-12-8-6-5-7-11(12)9-10-13(17)14-15(19)18(4-2)16(21)20-14/h5-10H,3-4H2,1-2H3/b14-13-
InChIKeyFYHWWYUCIGKACZ-YPKPFQOOSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_J(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[4-(Dimethylamino)benzylidene]-3-methyl-2-thioxo-1,3-oxazolidin-4-one
CID 2259994
(5E)-5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
CID 3124665
3-ethyl-5-(1-propyl-2(1H)-quinolinylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 2179475
N-(3-Ethyl-4-oxo-2-thioxo-oxazolidin-5-ylidenemethyl)-N-phenyl-acetamide
CID 3089085
3-butyl-5-[2-(1-ethyl-2(1H)-quinolinylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one
CID 5757797
(5Z)-5-(1-ethylquinolin-2(1H)-ylidene)-3-methyl-2-thioxo-1,3-oxazolidin-4-one
CID 2259972
4-Thiazolidinone, 3-ethyl-5-(2-(1-ethyl-2(1H)-quinolinylidene)ethylidene)-2-thioxo-
CID 90907
3-Ethyl-5-(1-ethyl-1H-quinolin-2-ylidene)-2-thioxo-thiazolidin-4-one
CID 1714948
(5Z)-3-ethyl-5-(1-ethylquinolin-2(1H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1714949
3-Ethyl-5-(1-ethyl-6-methyl-1H-quinolin-2-ylidene)-2-thioxo-oxazolidin-4-one
CID 1721589
3-ethyl-5-(1-methyl-2(1H)-quinolinylidene)-2-thioxo-1,3-oxazolidin-4-one
CID 2179329
3-Ethyl-2-[3-ethyl-4-oxo-2-thioxo-thiazolidin-(5E)-ylidene]-5-[1-ethyl-1H-quinolin-(2E)-ylidene]-oxazolidin-4-one
CID 3098236

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one (CID 3098234) is (5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one is CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S.
What is the InChIKey of (5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is FYHWWYUCIGKACZ-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-17-12-8-6-5-7-11(12)9-10-13(17)14-15(19)18(4-2)16(21)20-14/h5-10H,3-4H2,1-2H3/b14-13-.
What are the key properties of (5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one?
(5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 300.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 3098234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).