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

C19H12N2O2S2 — CID 58643361

IUPAC(5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cccc(-c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C19H12N2O2S2/c22-17-14(10-13-5-1-2-7-15(13)20-17)12-6-3-4-11(8-12)9-16-18(23)21-19(24)25-16/h1-10H,(H,20,22)(H,21,23,24)/b16-9-
InChIKeyGKDBLPRGXSWIJV-SXGWCWSVSA-N
MW364.45 g/mol
LogP3.68
Rot. Bonds2

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

(5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 58643361) has the molecular formula C19H12N2O2S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID58643361
Molecular FormulaC19H12N2O2S2
Molecular Weight364.45 g/mol
Exact Mass364.03
IUPAC Name(5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cccc(-c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C19H12N2O2S2/c22-17-14(10-13-5-1-2-7-15(13)20-17)12-6-3-4-11(8-12)9-16-18(23)21-19(24)25-16/h1-10H,(H,20,22)(H,21,23,24)/b16-9-
InChIKeyGKDBLPRGXSWIJV-SXGWCWSVSA-N
XLogP3.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.68
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-(4-methyl-2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58642885
(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
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
3-(3-hydroxyphenyl)-1H-quinolin-2-one
CID 11989516
(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
(5Z)-5-[[2-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122580042
(5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 167510551
(5E)-5-[(3-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19201203
[2-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]phenyl]methanesulfinate
CID 10089853

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 58643361) is (5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cccc(-c2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of (5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is GKDBLPRGXSWIJV-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H12N2O2S2/c22-17-14(10-13-5-1-2-7-15(13)20-17)12-6-3-4-11(8-12)9-16-18(23)21-19(24)25-16/h1-10H,(H,20,22)(H,21,23,24)/b16-9-.
What are the key properties of (5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 58643361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).