(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one

C21H19N3OS — CID 135916192

IUPAC(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@@H]1S/C(=N\N=C/c2c3ccccc3cc3ccccc23)NC1=O
InChIInChI=1S/C21H19N3OS/c1-13(2)19-20(25)23-21(26-19)24-22-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-13,19H,1-2H3,(H,23,24,25)/b22-12-/t19-/m0/s1
InChIKeyLCGLYKAZSVJOPK-ZIHVZMLCSA-N
MW361.47 g/mol
LogP4.57
Rot. Bonds3

About (2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one

(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135916192) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is (2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135916192
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@@H]1S/C(=N\N=C/c2c3ccccc3cc3ccccc23)NC1=O
InChIInChI=1S/C21H19N3OS/c1-13(2)19-20(25)23-21(26-19)24-22-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-13,19H,1-2H3,(H,23,24,25)/b22-12-/t19-/m0/s1
InChIKeyLCGLYKAZSVJOPK-ZIHVZMLCSA-N
XLogP4.57
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135750886
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 135852394
(2E)-2-[(E)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 136722471
(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135986920
[1-[(E)-[(E)-(4-oxo-5-propan-2-yl-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]naphthalen-2-yl] 3-chloro-4-methylbenzenesulfonate
CID 135437581
(2Z,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135850813
[3-[[(E)-(4-oxo-5-propan-2-yl-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 146027617
5-ethyl-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447174
5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172936341
(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135566336
[1-[(Z)-[(E)-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzenesulfonate
CID 135851771
5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292365

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135916192) is (2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)[C@@H]1S/C(=N\N=C/c2c3ccccc3cc3ccccc23)NC1=O.
What is the InChIKey of (2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is LCGLYKAZSVJOPK-ZIHVZMLCSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13(2)19-20(25)23-21(26-19)24-22-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-13,19H,1-2H3,(H,23,24,25)/b22-12-/t19-/m0/s1.
What are the key properties of (2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one?
(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 361.47 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135916192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).