(5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one

C24H19F6N3O2S — CID 137150680

IUPAC(5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one
SMILESC/N=C1\NC(=O)S\C1=C/c1cccc2c1C(C)(C)C(=O)N2Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H19F6N3O2S/c1-22(2)18-12(9-17-19(31-3)32-21(35)36-17)5-4-6-16(18)33(20(22)34)11-13-7-8-14(23(25,26)27)10-15(13)24(28,29)30/h4-10H,11H2,1-3H3,(H,31,32,35)/b17-9-
InChIKeySPJHEGGBVUYYEN-MFOYZWKCSA-N
MW527.49 g/mol
LogP6.37
Rot. Bonds3

About (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one

(5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one (PubChem CID 137150680) has the molecular formula C24H19F6N3O2S and a molecular weight of 527.49 g/mol. Its IUPAC name is (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one
PubChem CID137150680
Molecular FormulaC24H19F6N3O2S
Molecular Weight527.49 g/mol
Exact Mass527.11
IUPAC Name(5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one
SMILESC/N=C1\NC(=O)S\C1=C/c1cccc2c1C(C)(C)C(=O)N2Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H19F6N3O2S/c1-22(2)18-12(9-17-19(31-3)32-21(35)36-17)5-4-6-16(18)33(20(22)34)11-13-7-8-14(23(25,26)27)10-15(13)24(28,29)30/h4-10H,11H2,1-3H3,(H,31,32,35)/b17-9-
InChIKeySPJHEGGBVUYYEN-MFOYZWKCSA-N
XLogP6.37
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.49
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one (CID 137150680) is (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one is C/N=C1\NC(=O)S\C1=C/c1cccc2c1C(C)(C)C(=O)N2Cc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one?
The InChIKey is SPJHEGGBVUYYEN-MFOYZWKCSA-N. The full InChI is InChI=1S/C24H19F6N3O2S/c1-22(2)18-12(9-17-19(31-3)32-21(35)36-17)5-4-6-16(18)33(20(22)34)11-13-7-8-14(23(25,26)27)10-15(13)24(28,29)30/h4-10H,11H2,1-3H3,(H,31,32,35)/b17-9-.
What are the key properties of (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one?
(5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one has a molecular weight of 527.49 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-2-oxoindol-4-yl]methylidene]-4-methylimino-1,3-thiazolidin-2-one is sourced from PubChem (CID 137150680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).