2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide

C13H13N5O3S — CID 135439801

IUPAC2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CC1S/C(=N/N=C/c2ccccc2)NC1=O
InChIInChI=1S/C13H13N5O3S/c14-12(21)16-10(19)6-9-11(20)17-13(22-9)18-15-7-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,17,18,20)(H3,14,16,19,21)/b15-7+
InChIKeyVEXOPEFRKDMNIP-VIZOYTHASA-N
MW319.35 g/mol
LogP0.19
Rot. Bonds4

About 2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide

2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide (PubChem CID 135439801) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide
PubChem CID135439801
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CC1S/C(=N/N=C/c2ccccc2)NC1=O
InChIInChI=1S/C13H13N5O3S/c14-12(21)16-10(19)6-9-11(20)17-13(22-9)18-15-7-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,17,18,20)(H3,14,16,19,21)/b15-7+
InChIKeyVEXOPEFRKDMNIP-VIZOYTHASA-N
XLogP0.19
TPSA126.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Benzaldehyde, (4,5-dihydro-5-methyl-4-oxo-2-thiazolyl)hydrazone
CID 135438845
N-carbamoyl-2-((E)-4-oxo-2-((E)-((E)-3-phenylallylidene)hydrazono)thiazolidin-5-yl)acetamide
CID 135798640
sodium 2-((E)-4-oxo-2-((E)-((E)-3-phenylallylidene)hydrazono)thiazolidin-5-yl)acetate
CID 86261528
N-ethyl-2-{4-hydroxy-2-[(1-phenylethylidene)hydrazono]-2,5-dihydro-1,3-thiazol-5-yl}acetamide
CID 135433186
(E)-5-allyl-2-((E)-benzylidenehydrazono)thiazolidin-4-one
CID 135599583
2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-methyl-1,3-thiazol-4-one
CID 135426041
Benzaldehyde, 2-fluoro-, (5-methyl-4-oxothiazolidin-2-ylideno)hydrazone
CID 135479852
2-((E)-2-((E)-benzylidenehydrazono)-4-oxothiazolidin-5-yl)acetic acid
CID 135411785
(2E)-2-[(2E)-2-(phenylmethylidene)hydrazin-1-ylidene]-1,3-thiazolidin-4-one
CID 135533131
(2E)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135925060
2-[(2Z)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide
CID 136927765
(2E)-2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 172938900

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide?
The IUPAC name of 2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide (CID 135439801) is 2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide?
The canonical SMILES for 2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide is NC(=O)NC(=O)CC1S/C(=N/N=C/c2ccccc2)NC1=O.
What is the InChIKey of 2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide?
The InChIKey is VEXOPEFRKDMNIP-VIZOYTHASA-N. The full InChI is InChI=1S/C13H13N5O3S/c14-12(21)16-10(19)6-9-11(20)17-13(22-9)18-15-7-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,17,18,20)(H3,14,16,19,21)/b15-7+.
What are the key properties of 2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide?
2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide has a molecular weight of 319.35 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide is sourced from PubChem (CID 135439801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).