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

C22H19N3O2S — CID 135424857

IUPAC(5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC/N=C2\NC(=O)/C(=C/c3ccc4ncccc4c3)S2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-18-7-4-15(5-8-18)10-12-24-22-25-21(26)20(28-22)14-16-6-9-19-17(13-16)3-2-11-23-19/h2-9,11,13-14H,10,12H2,1H3,(H,24,25,26)/b20-14-
InChIKeyVNOYIPYTNHSABI-ZHZULCJRSA-N
MW389.48 g/mol
LogP4.05
Rot. Bonds5

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

(5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135424857) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is (5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135424857
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name(5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC/N=C2\NC(=O)/C(=C/c3ccc4ncccc4c3)S2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-18-7-4-15(5-8-18)10-12-24-22-25-21(26)20(28-22)14-16-6-9-19-17(13-16)3-2-11-23-19/h2-9,11,13-14H,10,12H2,1H3,(H,24,25,26)/b20-14-
InChIKeyVNOYIPYTNHSABI-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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135424857) is (5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is COc1ccc(CC/N=C2\NC(=O)/C(=C/c3ccc4ncccc4c3)S2)cc1.
What is the InChIKey of (5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is VNOYIPYTNHSABI-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-18-7-4-15(5-8-18)10-12-24-22-25-21(26)20(28-22)14-16-6-9-19-17(13-16)3-2-11-23-19/h2-9,11,13-14H,10,12H2,1H3,(H,24,25,26)/b20-14-.
What are the key properties of (5Z)-2-[2-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-[2-(4-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-(4-methoxyphenyl)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135424857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).