5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C19H13N3O2S2 — CID 91313295

IUPAC5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1c(-c2cccc(C=C3SC(=S)NC3=O)n2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C19H13N3O2S2/c1-10-12-6-2-3-7-13(12)21-18(24)16(10)14-8-4-5-11(20-14)9-15-17(23)22-19(25)26-15/h2-9H,1H3,(H,21,24)(H,22,23,25)
InChIKeyYLMGXUIRYWTQJJ-UHFFFAOYSA-N
MW379.47 g/mol
LogP3.39
Rot. Bonds2

About 5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 91313295) has the molecular formula C19H13N3O2S2 and a molecular weight of 379.47 g/mol. Its IUPAC name is 5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID91313295
Molecular FormulaC19H13N3O2S2
Molecular Weight379.47 g/mol
Exact Mass379.04
IUPAC Name5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1c(-c2cccc(C=C3SC(=S)NC3=O)n2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C19H13N3O2S2/c1-10-12-6-2-3-7-13(12)21-18(24)16(10)14-8-4-5-11(20-14)9-15-17(23)22-19(25)26-15/h2-9H,1H3,(H,21,24)(H,22,23,25)
InChIKeyYLMGXUIRYWTQJJ-UHFFFAOYSA-N
XLogP3.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
(5E)-5-[[6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 54603528
(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58642543
(5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58642480
(5Z)-5-[[6-[3-(cyclopropylmethylamino)quinoxalin-2-yl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58643518
(5Z)-5-[[3-(2-oxo-1H-quinolin-3-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58643361
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2864374
5-[(2,6-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4131394
(5Z)-5-[[2-(methylaminooxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 142878617
(5Z)-5-[[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278232
5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3785989

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 91313295) is 5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1c(-c2cccc(C=C3SC(=S)NC3=O)n2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is YLMGXUIRYWTQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S2/c1-10-12-6-2-3-7-13(12)21-18(24)16(10)14-8-4-5-11(20-14)9-15-17(23)22-19(25)26-15/h2-9H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 379.47 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 91313295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).