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

C21H19N3OS — CID 135852394

IUPAC(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@@H]1S/C(=N/N=C\c2c3ccccc3cc3ccccc23)NC1=O
InChIInChI=1S/C21H19N3OS/c1-2-7-19-20(25)23-21(26-19)24-22-13-18-16-10-5-3-8-14(16)12-15-9-4-6-11-17(15)18/h3-6,8-13,19H,2,7H2,1H3,(H,23,24,25)/b22-13-/t19-/m0/s1
InChIKeyYBCZMHYRCKZOFD-CVHFWEDTSA-N
MW361.47 g/mol
LogP4.71
Rot. Bonds4

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

(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one (PubChem CID 135852394) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
PubChem CID135852394
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@@H]1S/C(=N/N=C\c2c3ccccc3cc3ccccc23)NC1=O
InChIInChI=1S/C21H19N3OS/c1-2-7-19-20(25)23-21(26-19)24-22-13-18-16-10-5-3-8-14(16)12-15-9-4-6-11-17(15)18/h3-6,8-13,19H,2,7H2,1H3,(H,23,24,25)/b22-13-/t19-/m0/s1
InChIKeyYBCZMHYRCKZOFD-CVHFWEDTSA-N
XLogP4.71
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.71
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)-2-[(E)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 136722471
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135750886
5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172936341
(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135916192
2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one
CID 137292315
5-ethyl-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447174
(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
CID 137195334
[3-[(Z)-[(Z)-[(5S)-4-oxo-5-propyl-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 135893361
[2-[(Z)-[(E)-[(5S)-4-oxo-5-propyl-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzenesulfonate
CID 135851770
[2-[[(4-oxo-5-propyl-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzenesulfonate
CID 135514937
[2-[[[(5S)-4-oxo-5-propyl-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzenesulfonate
CID 137231591
(2Z)-5-butyl-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135585366

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one (CID 135852394) is (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one is CCC[C@@H]1S/C(=N/N=C\c2c3ccccc3cc3ccccc23)NC1=O.
What is the InChIKey of (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is YBCZMHYRCKZOFD-CVHFWEDTSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-2-7-19-20(25)23-21(26-19)24-22-13-18-16-10-5-3-8-14(16)12-15-9-4-6-11-17(15)18/h3-6,8-13,19H,2,7H2,1H3,(H,23,24,25)/b22-13-/t19-/m0/s1.
What are the key properties of (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one?
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 361.47 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135852394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).