(2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

C25H26N2O3S2 — CID 2489215

IUPAC(2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)(C)C(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C25H26N2O3S2/c1-25(2,3)21(28)14-23-27(24(30)20(32-23)13-17-10-12-31-16-17)15-22(29)26-11-6-8-18-7-4-5-9-19(18)26/h4-5,7,9-10,12-14,16H,6,8,11,15H2,1-3H3/b20-13+,23-14-
InChIKeyDPIJZWPZVRVYHE-ALZGGJCBSA-N
MW466.63 g/mol
LogP3.18
Rot. Bonds4

About (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

(2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 2489215) has the molecular formula C25H26N2O3S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID2489215
Molecular FormulaC25H26N2O3S2
Molecular Weight466.63 g/mol
Exact Mass466.14
IUPAC Name(2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)(C)C(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C25H26N2O3S2/c1-25(2,3)21(28)14-23-27(24(30)20(32-23)13-17-10-12-31-16-17)15-22(29)26-11-6-8-18-7-4-5-9-19(18)26/h4-5,7,9-10,12-14,16H,6,8,11,15H2,1-3H3/b20-13+,23-14-
InChIKeyDPIJZWPZVRVYHE-ALZGGJCBSA-N
XLogP3.18
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 2489900
2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(3-methylbutyl)acetamide
CID 8716215
2-[2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 4317176
2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2519918
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 15999898
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-ethylquinazolin-4-one
CID 860000
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 71784273
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
CID 8023194
2-[(2-methylpropan-2-yl)oxy]-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 112605474

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 2489215) is (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is DPIJZWPZVRVYHE-ALZGGJCBSA-N. The full InChI is InChI=1S/C25H26N2O3S2/c1-25(2,3)21(28)14-23-27(24(30)20(32-23)13-17-10-12-31-16-17)15-22(29)26-11-6-8-18-7-4-5-9-19(18)26/h4-5,7,9-10,12-14,16H,6,8,11,15H2,1-3H3/b20-13+,23-14-.
What are the key properties of (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
(2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 466.63 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,3-dimethyl-2-oxobutylidene)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2489215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).