(2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C14H11N3O2S — CID 135950070

IUPAC(2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCO/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C14H11N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-8H,1H3,(H,16,17,18)/b12-8-
InChIKeyHUBFHDCOBSCSRE-WQLSENKSSA-N
MW285.33 g/mol
LogP2.36
Rot. Bonds2

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

(2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135950070) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is (2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135950070
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name(2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCO/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C14H11N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-8H,1H3,(H,16,17,18)/b12-8-
InChIKeyHUBFHDCOBSCSRE-WQLSENKSSA-N
XLogP2.36
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.36
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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
4-methyl-2-(quinolin-8-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135496702
4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135520015

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135950070) is (2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is CO/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1.
What is the InChIKey of (2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is HUBFHDCOBSCSRE-WQLSENKSSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-8H,1H3,(H,16,17,18)/b12-8-.
What are the key properties of (2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 285.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-methoxyimino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135950070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).