(5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C20H14N2O2S2 — CID 58642885

IUPAC(5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1c(-c2cccc(/C=C3\SC(=S)NC3=O)c2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C20H14N2O2S2/c1-11-14-7-2-3-8-15(14)21-19(24)17(11)13-6-4-5-12(9-13)10-16-18(23)22-20(25)26-16/h2-10H,1H3,(H,21,24)(H,22,23,25)/b16-10-
InChIKeyXXLSJBFXHDTVHV-YBEGLDIGSA-N
MW378.48 g/mol
LogP3.99
Rot. Bonds2

About (5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 58642885) has the molecular formula C20H14N2O2S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID58642885
Molecular FormulaC20H14N2O2S2
Molecular Weight378.48 g/mol
Exact Mass378.05
IUPAC Name(5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1c(-c2cccc(/C=C3\SC(=S)NC3=O)c2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C20H14N2O2S2/c1-11-14-7-2-3-8-15(14)21-19(24)17(11)13-6-4-5-12(9-13)10-16-18(23)22-20(25)26-16/h2-10H,1H3,(H,21,24)(H,22,23,25)/b16-10-
InChIKeyXXLSJBFXHDTVHV-YBEGLDIGSA-N
XLogP3.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58643361
5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 91313295
(5Z)-5-[[3-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122579989
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
(5E)-5-[(3-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377507
(5E)-5-[[4-(4-methylphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71570691
(5E)-5-[(3-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19201203
(5Z)-5-[[3-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58644048
(5E)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1241126
(5E)-5-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278475
(5Z)-5-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118069686
(5E)-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2302246

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 58642885) is (5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1c(-c2cccc(/C=C3\SC(=S)NC3=O)c2)c(=O)[nH]c2ccccc12.
What is the InChIKey of (5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is XXLSJBFXHDTVHV-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H14N2O2S2/c1-11-14-7-2-3-8-15(14)21-19(24)17(11)13-6-4-5-12(9-13)10-16-18(23)22-20(25)26-16/h2-10H,1H3,(H,21,24)(H,22,23,25)/b16-10-.
What are the key properties of (5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 378.48 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 58642885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).