2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate

C16H17N4O4S- — CID 135768505

IUPAC2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESO=C([O-])C[C@H]1S/C(=N/N=C\c2ccc(N3CCOCC3)cc2)NC1=O
InChIInChI=1S/C16H18N4O4S/c21-14(22)9-13-15(23)18-16(25-13)19-17-10-11-1-3-12(4-2-11)20-5-7-24-8-6-20/h1-4,10,13H,5-9H2,(H,21,22)(H,18,19,23)/p-1/b17-10-/t13-/m1/s1
InChIKeyFSEJBKICUFFJRC-OMJMQIJPSA-M
MW361.40 g/mol
LogP-0.42
Rot. Bonds5

About 2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate

2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate (PubChem CID 135768505) has the molecular formula C16H17N4O4S- and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

Compound Name2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
PubChem CID135768505
Molecular FormulaC16H17N4O4S-
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC Name2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESO=C([O-])C[C@H]1S/C(=N/N=C\c2ccc(N3CCOCC3)cc2)NC1=O
InChIInChI=1S/C16H18N4O4S/c21-14(22)9-13-15(23)18-16(25-13)19-17-10-11-1-3-12(4-2-11)20-5-7-24-8-6-20/h1-4,10,13H,5-9H2,(H,21,22)(H,18,19,23)/p-1/b17-10-/t13-/m1/s1
InChIKeyFSEJBKICUFFJRC-OMJMQIJPSA-M
XLogP-0.42
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135522439
2-[(2E,5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135852241
2-[(2E,5S)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135830969
2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168619931
2-[2-[(4-morpholin-4-yl-3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620871
2-[(2Z,5S)-2-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135851813
(2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136906275
2-[(2E,5R)-4-oxo-2-[(Z)-(4-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetate
CID 135748103
2-[2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168621320
2-[(2Z,5S)-2-[(Z)-(4-benzoyloxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135923470
2-[(2Z,5R)-2-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135874355
2-[(2Z,5S)-2-[(Z)-[4-(4-methylbenzoyl)oxyphenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135852235

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
The IUPAC name of 2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate (CID 135768505) is 2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate.
What is the SMILES notation for 2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
The canonical SMILES for 2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate is O=C([O-])C[C@H]1S/C(=N/N=C\c2ccc(N3CCOCC3)cc2)NC1=O.
What is the InChIKey of 2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
The InChIKey is FSEJBKICUFFJRC-OMJMQIJPSA-M. The full InChI is InChI=1S/C16H18N4O4S/c21-14(22)9-13-15(23)18-16(25-13)19-17-10-11-1-3-12(4-2-11)20-5-7-24-8-6-20/h1-4,10,13H,5-9H2,(H,21,22)(H,18,19,23)/p-1/b17-10-/t13-/m1/s1.
What are the key properties of 2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate has a molecular weight of 361.40 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 135768505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).