(5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C20H16N4OS — CID 135950076

IUPAC(5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCc2ccccn2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C20H16N4OS/c25-19-18(13-14-6-7-17-15(12-14)4-3-10-22-17)26-20(24-19)23-11-8-16-5-1-2-9-21-16/h1-7,9-10,12-13H,8,11H2,(H,23,24,25)/b18-13-
InChIKeyCVMMOMQBQMKTKV-AQTBWJFISA-N
MW360.44 g/mol
LogP3.43
Rot. Bonds4

About (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135950076) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135950076
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name(5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCc2ccccn2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C20H16N4OS/c25-19-18(13-14-6-7-17-15(12-14)4-3-10-22-17)26-20(24-19)23-11-8-16-5-1-2-9-21-16/h1-7,9-10,12-13H,8,11H2,(H,23,24,25)/b18-13-
InChIKeyCVMMOMQBQMKTKV-AQTBWJFISA-N
XLogP3.43
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

Gsk-1059615
CID 23582824
(5e)-5-(Quinolin-6-Ylmethylidene)-2-[(Thiophen-2-Ylmethyl)amino]-1,3-Thiazol-4(5h)-One
CID 135398497
(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
CID 135400873
ROCHE screening, 66
CID 135407456
ROCHE screening, 64
CID 135475857
(Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinolin-6-ylmethylene)thiazol-4(5H)-one
CID 135611170
ROCHE screening, 68
CID 135950082
(2E,5Z)-2-((2,4-dimethylphenyl)imino)-5-((1-methyl-1H-pyrrol-2-yl)methylene)thiazolidin-4-one
CID 135628212
ROCHE screening, 69
CID 135950077
ROCHE screening, 67
CID 135950079
ROCHE screening, 65
CID 135950070
4-methyl-2-(quinolin-8-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135496702

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135950076) is (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\CCc2ccccn2)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is CVMMOMQBQMKTKV-AQTBWJFISA-N. The full InChI is InChI=1S/C20H16N4OS/c25-19-18(13-14-6-7-17-15(12-14)4-3-10-22-17)26-20(24-19)23-11-8-16-5-1-2-9-21-16/h1-7,9-10,12-13H,8,11H2,(H,23,24,25)/b18-13-.
What are the key properties of (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 360.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-pyridin-2-ylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135950076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).