(2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one

C25H21N3O2S3 — CID 2192577

IUPAC(2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one
SMILESCCN1/C(=c2\s/c(=C3\SC(=S)N(C)C3=O)n(-c3ccccc3)c2=O)C=Cc2cc(C)ccc21
InChIInChI=1S/C25H21N3O2S3/c1-4-27-18-12-10-15(2)14-16(18)11-13-19(27)20-23(30)28(17-8-6-5-7-9-17)24(32-20)21-22(29)26(3)25(31)33-21/h5-14H,4H2,1-3H3/b20-19-,24-21-
InChIKeyCMHWHMZILKWCHC-HRMRZQMVSA-N
MW491.66 g/mol
LogP3.47
Rot. Bonds2

About (2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one

(2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 2192577) has the molecular formula C25H21N3O2S3 and a molecular weight of 491.66 g/mol. Its IUPAC name is (2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID2192577
Molecular FormulaC25H21N3O2S3
Molecular Weight491.66 g/mol
Exact Mass491.08
IUPAC Name(2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one
SMILESCCN1/C(=c2\s/c(=C3\SC(=S)N(C)C3=O)n(-c3ccccc3)c2=O)C=Cc2cc(C)ccc21
InChIInChI=1S/C25H21N3O2S3/c1-4-27-18-12-10-15(2)14-16(18)11-13-19(27)20-23(30)28(17-8-6-5-7-9-17)24(32-20)21-22(29)26(3)25(31)33-21/h5-14H,4H2,1-3H3/b20-19-,24-21-
InChIKeyCMHWHMZILKWCHC-HRMRZQMVSA-N
XLogP3.47
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
CID 5291722
5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 3725448
(2E)-2-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-5-(1-ethyl-6-methylquinolin-2-ylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 7994982
3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1204513
3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1-ethylquinolin-2-ylidene)-1,3-thiazolidin-4-one
CID 3692571
4-(1-ethyl-6-methylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one
CID 773819
(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2259982
3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(4-phenoxyphenyl)imino-1,3-oxazolidin-4-one
CID 4313497
(5Z)-3-ethyl-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(4-phenoxyphenyl)imino-1,3-oxazolidin-4-one
CID 6066392
(5Z)-5-(1-ethyl-6-methoxyquinolin-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6013564
5-(1-ethylquinolin-2-ylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 4690986
(2Z,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one
CID 25251047

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one (CID 2192577) is (2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one is CCN1/C(=c2\s/c(=C3\SC(=S)N(C)C3=O)n(-c3ccccc3)c2=O)C=Cc2cc(C)ccc21.
What is the InChIKey of (2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is CMHWHMZILKWCHC-HRMRZQMVSA-N. The full InChI is InChI=1S/C25H21N3O2S3/c1-4-27-18-12-10-15(2)14-16(18)11-13-19(27)20-23(30)28(17-8-6-5-7-9-17)24(32-20)21-22(29)26(3)25(31)33-21/h5-14H,4H2,1-3H3/b20-19-,24-21-.
What are the key properties of (2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
(2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 491.66 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2192577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).