3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C17H18N2OS2 — CID 1204513

IUPAC3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)C(=C2C=Cc3cc(C)ccc3N2CC)SC1=S
InChIInChI=1S/C17H18N2OS2/c1-4-18-13-8-6-11(3)10-12(13)7-9-14(18)15-16(20)19(5-2)17(21)22-15/h6-10H,4-5H2,1-3H3
InChIKeyZFZGTWMQQXYLDH-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.94
Rot. Bonds2

About 3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1204513) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1204513
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)C(=C2C=Cc3cc(C)ccc3N2CC)SC1=S
InChIInChI=1S/C17H18N2OS2/c1-4-18-13-8-6-11(3)10-12(13)7-9-14(18)15-16(20)19(5-2)17(21)22-15/h6-10H,4-5H2,1-3H3
InChIKeyZFZGTWMQQXYLDH-UHFFFAOYSA-N
XLogP3.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'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

(5Z)-5-(1-ethyl-6-methoxyquinolin-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6013564
(2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 2192577
3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1-ethylquinolin-2-ylidene)-1,3-thiazolidin-4-one
CID 3692571
(2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
CID 5291722
4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one
CID 773819
(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)-3-methyl-5-(trifluoromethyl)-1,3-benzothiazole
CID 162543096
5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 3725448
3-ethyl-5-[(2-hydroxy-5-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1344678
3-(2,4-dimethylphenyl)-5-[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4762948
3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(4-phenoxyphenyl)imino-1,3-oxazolidin-4-one
CID 4313497
(5Z)-3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(4-phenoxyphenyl)imino-1,3-oxazolidin-4-one
CID 6066392
5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 4690986

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1204513) is 3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1C(=O)C(=C2C=Cc3cc(C)ccc3N2CC)SC1=S.
What is the InChIKey of 3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZFZGTWMQQXYLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-4-18-13-8-6-11(3)10-12(13)7-9-14(18)15-16(20)19(5-2)17(21)22-15/h6-10H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 330.48 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1204513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).