(5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one

C24H23N3O2S — CID 126124372

IUPAC(5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21
InChIInChI=1S/C24H23N3O2S/c1-26-19-15-9-8-14-18(19)20(22(26)28)21-23(29)27(17-12-6-3-7-13-17)24(30-21)25-16-10-4-2-5-11-16/h2,4-5,8-11,14-15,17H,3,6-7,12-13H2,1H3/b21-20-,25-24-
InChIKeyMVSNSAOKNCQKDH-GPIXMANTSA-N
MW417.53 g/mol
LogP4.97
Rot. Bonds2

About (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 126124372) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID126124372
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name(5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21
InChIInChI=1S/C24H23N3O2S/c1-26-19-15-9-8-14-18(19)20(22(26)28)21-23(29)27(17-12-6-3-7-13-17)24(30-21)25-16-10-4-2-5-11-16/h2,4-5,8-11,14-15,17H,3,6-7,12-13H2,1H3/b21-20-,25-24-
InChIKeyMVSNSAOKNCQKDH-GPIXMANTSA-N
XLogP4.97
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one with MolForge

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Related Compounds

3-[[(5Z)-5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846659
(5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 6310407
3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 4556066
(5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 6148926
3-cyclohexyl-5-(1-ethyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1283823
2-cyclodecylisoindole-1,3-dione
CID 123786237
2-(3-bromophenyl)imino-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-cyclohexyl-1,3-thiazolidin-4-one
CID 3489778
(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290095
5-(1-butyl-2-oxoindol-3-ylidene)-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23882209
(5Z)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6253250
5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3742421
5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-cyclohexyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 3708780

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one (CID 126124372) is (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one is CN1C(=O)/C(=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21.
What is the InChIKey of (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is MVSNSAOKNCQKDH-GPIXMANTSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-26-19-15-9-8-14-18(19)20(22(26)28)21-23(29)27(17-12-6-3-7-13-17)24(30-21)25-16-10-4-2-5-11-16/h2,4-5,8-11,14-15,17H,3,6-7,12-13H2,1H3/b21-20-,25-24-.
What are the key properties of (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 417.53 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126124372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).