(2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one

C15H19N3OS — CID 166930789

IUPAC(2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
SMILESC/C=N/N=C1\SCC(=O)N1c1cc(C)ccc1C(C)C
InChIInChI=1S/C15H19N3OS/c1-5-16-17-15-18(14(19)9-20-15)13-8-11(4)6-7-12(13)10(2)3/h5-8,10H,9H2,1-4H3/b16-5+,17-15-
InChIKeyXMJOBTRWROGQMB-MNGGPEGKSA-N
MW289.40 g/mol
LogP3.56
Rot. Bonds3

About (2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one

(2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one (PubChem CID 166930789) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
PubChem CID166930789
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
SMILESC/C=N/N=C1\SCC(=O)N1c1cc(C)ccc1C(C)C
InChIInChI=1S/C15H19N3OS/c1-5-16-17-15-18(14(19)9-20-15)13-8-11(4)6-7-12(13)10(2)3/h5-8,10H,9H2,1-4H3/b16-5+,17-15-
InChIKeyXMJOBTRWROGQMB-MNGGPEGKSA-N
XLogP3.56
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea
CID 170761976
2-imino-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 90404131
[4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
CID 144727669
methoxy-[4-[[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamoyloxy]phenyl]-oxoazanium
CID 123239953
[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 163283598
(2E)-3-(5-methyl-2-propan-2-ylphenyl)-2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-f]quinolin-7-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172941758
(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]urea
CID 154675736
(2Z)-2-[(E)-[4-[1,4-dimethyl-5-[3-oxo-6-(trifluoromethoxy)-1H-isoindol-2-yl]pyrazol-3-yl]phenyl]methylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 172605304
3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one
CID 142385733
1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-[4-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]phenyl]urea
CID 171926225
2-ethenyl-N-[2-methyl-5-[4-[(E)-[(Z)-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl]-1,2,4-triazol-3-yl]-4-(trifluoromethoxy)benzamide
CID 172549540
(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 5456730

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one (CID 166930789) is (2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one is C/C=N/N=C1\SCC(=O)N1c1cc(C)ccc1C(C)C.
What is the InChIKey of (2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is XMJOBTRWROGQMB-MNGGPEGKSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-5-16-17-15-18(14(19)9-20-15)13-8-11(4)6-7-12(13)10(2)3/h5-8,10H,9H2,1-4H3/b16-5+,17-15-.
What are the key properties of (2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 289.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 166930789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).