(5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C18H12N4OS — CID 135637486

IUPAC(5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccnc2)S/C1=C/c1ccc2ncccc2c1
InChIInChI=1S/C18H12N4OS/c23-17-16(24-18(22-17)21-14-4-2-7-19-11-14)10-12-5-6-15-13(9-12)3-1-8-20-15/h1-11H,(H,21,22,23)/b16-10+
InChIKeyOGCPDQPXGHRRAQ-MHWRWJLKSA-N
MW332.39 g/mol
LogP3.52
Rot. Bonds2

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

(5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135637486) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is (5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135637486
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC Name(5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccnc2)S/C1=C/c1ccc2ncccc2c1
InChIInChI=1S/C18H12N4OS/c23-17-16(24-18(22-17)21-14-4-2-7-19-11-14)10-12-5-6-15-13(9-12)3-1-8-20-15/h1-11H,(H,21,22,23)/b16-10+
InChIKeyOGCPDQPXGHRRAQ-MHWRWJLKSA-N
XLogP3.52
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.52
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 (5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

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Launch Full Analysis

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
ROCHE screening, 69
CID 135950077
ROCHE screening, 67
CID 135950079
ROCHE screening, 65
CID 135950070
(2E,5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-(pyridin-3-ylimino)-1,3-thiazolidin-4-one
CID 135493319
4-methyl-2-(quinolin-8-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135496702

Frequently Asked Questions

What is the IUPAC name of (5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135637486) is (5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cccnc2)S/C1=C/c1ccc2ncccc2c1.
What is the InChIKey of (5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is OGCPDQPXGHRRAQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H12N4OS/c23-17-16(24-18(22-17)21-14-4-2-7-19-11-14)10-12-5-6-15-13(9-12)3-1-8-20-15/h1-11H,(H,21,22,23)/b16-10+.
What are the key properties of (5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 332.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-pyridin-3-ylimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135637486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).