2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one

C20H15N3OS2 — CID 173145998

IUPAC2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCSc1ccccc1/N=C1/NC(=O)C(=Cc2cccc3cccnc23)S1
InChIInChI=1S/C20H15N3OS2/c1-25-16-10-3-2-9-15(16)22-20-23-19(24)17(26-20)12-14-7-4-6-13-8-5-11-21-18(13)14/h2-12H,1H3,(H,22,23,24)
InChIKeyVSQCFRIBETYMBE-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.85
Rot. Bonds3

About 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one

2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 173145998) has the molecular formula C20H15N3OS2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID173145998
Molecular FormulaC20H15N3OS2
Molecular Weight377.49 g/mol
Exact Mass377.07
IUPAC Name2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCSc1ccccc1/N=C1/NC(=O)C(=Cc2cccc3cccnc23)S1
InChIInChI=1S/C20H15N3OS2/c1-25-16-10-3-2-9-15(16)22-20-23-19(24)17(26-20)12-14-7-4-6-13-8-5-11-21-18(13)14/h2-12H,1H3,(H,22,23,24)
InChIKeyVSQCFRIBETYMBE-UHFFFAOYSA-N
XLogP4.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.85
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 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-2-naphthalen-1-ylimino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563192
(5E)-2-(2-methylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745036
(5E)-2-(2,3-dimethylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745009
(5E)-5-(quinolin-6-ylmethylidene)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135745011
2-naphthalen-1-ylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135523457
(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135603025
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486739
(5E)-5-[(2-fluorophenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 136772715
2-[(2-chloro-3-pyridinyl)imino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136659589
(5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137036263
5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135523119

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one (CID 173145998) is 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one is CSc1ccccc1/N=C1/NC(=O)C(=Cc2cccc3cccnc23)S1.
What is the InChIKey of 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is VSQCFRIBETYMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS2/c1-25-16-10-3-2-9-15(16)22-20-23-19(24)17(26-20)12-14-7-4-6-13-8-5-11-21-18(13)14/h2-12H,1H3,(H,22,23,24).
What are the key properties of 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one?
2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 377.49 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenyl)imino-5-(quinolin-8-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 173145998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).