(2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one

C23H29N3OS — CID 136715969

IUPAC(2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/C=C2/S/C(=N\N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1
InChIInChI=1S/C23H29N3OS/c1-14(2)16-8-6-15(7-9-16)12-18-20(27)24-21(28-18)26-25-19-13-17-10-11-23(19,5)22(17,3)4/h6-9,12,14,17H,10-11,13H2,1-5H3,(H,24,26,27)/b18-12+,25-19-/t17-,23+/m1/s1
InChIKeyPFCOYQMSNQEBGY-RFRNXYKSSA-N
MW395.57 g/mol
LogP5.57
Rot. Bonds3

About (2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one

(2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 136715969) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is (2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID136715969
Molecular FormulaC23H29N3OS
Molecular Weight395.57 g/mol
Exact Mass395.20
IUPAC Name(2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/C=C2/S/C(=N\N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1
InChIInChI=1S/C23H29N3OS/c1-14(2)16-8-6-15(7-9-16)12-18-20(27)24-21(28-18)26-25-19-13-17-10-11-23(19,5)22(17,3)4/h6-9,12,14,17H,10-11,13H2,1-5H3,(H,24,26,27)/b18-12+,25-19-/t17-,23+/m1/s1
InChIKeyPFCOYQMSNQEBGY-RFRNXYKSSA-N
XLogP5.57
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135948738
(2E,5E)-5-[(4-propan-2-yloxyphenyl)methylidene]-2-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135830993
(2Z,5E)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135853912
(2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 136678673
(2E,5E)-5-[(3-bromophenyl)methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135914572
5-[(3-bromophenyl)methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135479056
(5E)-5-[(3-bromophenyl)methylidene]-2-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 136745016
(2E,5E)-5-[(3-bromophenyl)methylidene]-2-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135627098
5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135498361
5-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135418836
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-[(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206972
5-[(4-methoxyphenyl)methylidene]-2-[(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135439252

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one (CID 136715969) is (2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one is CC(C)c1ccc(/C=C2/S/C(=N\N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1.
What is the InChIKey of (2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is PFCOYQMSNQEBGY-RFRNXYKSSA-N. The full InChI is InChI=1S/C23H29N3OS/c1-14(2)16-8-6-15(7-9-16)12-18-20(27)24-21(28-18)26-25-19-13-17-10-11-23(19,5)22(17,3)4/h6-9,12,14,17H,10-11,13H2,1-5H3,(H,24,26,27)/b18-12+,25-19-/t17-,23+/m1/s1.
What are the key properties of (2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 395.57 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136715969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).