(5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C22H19N3O2S — CID 135487537

IUPAC(5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1CC/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C22H19N3O2S/c1-27-19-7-3-2-5-16(19)10-12-24-22-25-21(26)20(28-22)14-15-8-9-18-17(13-15)6-4-11-23-18/h2-9,11,13-14H,10,12H2,1H3,(H,24,25,26)/b20-14-
InChIKeyVRZOESAUIOIKQL-ZHZULCJRSA-N
MW389.48 g/mol
LogP4.05
Rot. Bonds5

About (5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135487537) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is (5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135487537
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name(5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1CC/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C22H19N3O2S/c1-27-19-7-3-2-5-16(19)10-12-24-22-25-21(26)20(28-22)14-15-8-9-18-17(13-15)6-4-11-23-18/h2-9,11,13-14H,10,12H2,1H3,(H,24,25,26)/b20-14-
InChIKeyVRZOESAUIOIKQL-ZHZULCJRSA-N
XLogP4.05
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.05
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-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

Sdccgrch-0000049.P001
CID 135424857
Sdccgrch-0000177.P001
CID 135428197
Sdccgrch-0000196.P001
CID 135467112
(6Z)-5-imino-2-methyl-6-({1-[3-(2-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 6052797
Sdccgrch-0000139.P001
CID 136060593
1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl (2E)-2-(quinolin-4-ylmethylidene)hydrazinecarbimidothioate
CID 9590056
3-(4-methoxyphenyl)-2-methyl-5-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925443
2-[2-(2-Methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136152797
6-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-4-(2,2,2-trifluoroethoxy)quinoline-3-carbonitrile
CID 11581652
6-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-4-(1,1,1-trifluoropropan-2-yloxy)quinoline-3-carbonitrile
CID 58585839
(5Z)-2-amino-5-[[4-[2-(4-fluorophenyl)ethoxy]quinolin-6-yl]methylidene]-1,3-thiazol-4-one
CID 58615370
(5Z)-2-imino-5-[[4-(2,2,2-trifluoroethoxy)quinolin-6-yl]methylidene]-1,3-thiazolidin-4-one
CID 58615382

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135487537) is (5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is COc1ccccc1CC/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1.
What is the InChIKey of (5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is VRZOESAUIOIKQL-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-19-7-3-2-5-16(19)10-12-24-22-25-21(26)20(28-22)14-15-8-9-18-17(13-15)6-4-11-23-18/h2-9,11,13-14H,10,12H2,1H3,(H,24,25,26)/b20-14-.
What are the key properties of (5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 389.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[2-(2-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135487537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).