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

C21H17N3OS — CID 135950074

IUPAC(5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCc2ccccc2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C21H17N3OS/c25-20-19(14-16-8-9-18-17(13-16)7-4-11-22-18)26-21(24-20)23-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2,(H,23,24,25)/b19-14-
InChIKeyZCSBYQPGNSCHEB-RGEXLXHISA-N
MW359.45 g/mol
LogP4.04
Rot. Bonds4

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

(5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135950074) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is (5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135950074
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name(5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCc2ccccc2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C21H17N3OS/c25-20-19(14-16-8-9-18-17(13-16)7-4-11-22-18)26-21(24-20)23-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2,(H,23,24,25)/b19-14-
InChIKeyZCSBYQPGNSCHEB-RGEXLXHISA-N
XLogP4.04
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-2-(2-phenylethylimino)-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
2-(Phenylimino)-5-(3-pyridinylmethylene)-1,3-thiazolidin-4-one
CID 135460418

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135950074) is (5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\CCc2ccccc2)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is ZCSBYQPGNSCHEB-RGEXLXHISA-N. The full InChI is InChI=1S/C21H17N3OS/c25-20-19(14-16-8-9-18-17(13-16)7-4-11-22-18)26-21(24-20)23-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2,(H,23,24,25)/b19-14-.
What are the key properties of (5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 359.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-phenylethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135950074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).