N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

C15H15N5O3S — CID 135798640

IUPACN-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESNC(=O)NC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O
InChIInChI=1S/C15H15N5O3S/c16-14(23)18-12(21)9-11-13(22)19-15(24-11)20-17-8-4-7-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,19,20,22)(H3,16,18,21,23)/b7-4+,17-8+
InChIKeyBDGVYJAWWIKKBN-AQHRCUNFSA-N
MW345.38 g/mol
LogP0.86
Rot. Bonds5

About N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135798640) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
PubChem CID135798640
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESNC(=O)NC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O
InChIInChI=1S/C15H15N5O3S/c16-14(23)18-12(21)9-11-13(22)19-15(24-11)20-17-8-4-7-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,19,20,22)(H3,16,18,21,23)/b7-4+,17-8+
InChIKeyBDGVYJAWWIKKBN-AQHRCUNFSA-N
XLogP0.86
TPSA126.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'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
2-((E)-2-((E)-benzylidenehydrazono)-4-oxothiazolidin-5-yl)-N-carbamoylacetamide
CID 135439801
2-((E)-4-oxo-2-((E)-((E)-3-phenylallylidene)hydrazono)thiazolidin-5-yl)acetic acid
CID 135521421
(2E)-2-{(2E)-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135628899
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-[(2Z)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-carbamoylacetamide
CID 136927765
2-[(2Z)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 136927775
(4-Oxo-2-[(2E)-2-[(2E)-3-phenylprop-2-EN-1-ylidene]hydrazino]-4,5-dihydro-1,3-thiazol-5-YL)acetic acid
CID 137221025
2-[(2E)-4-oxo-2-[[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 135696853
(2Z)-2-[(2E)-2-(Phenylmethylidene)hydrazin-1-ylidene]-5-(prop-2-EN-1-YL)-1,3-thiazolidin-4-one
CID 135422612

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 135798640) is N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is NC(=O)NC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O.
What is the InChIKey of N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is BDGVYJAWWIKKBN-AQHRCUNFSA-N. The full InChI is InChI=1S/C15H15N5O3S/c16-14(23)18-12(21)9-11-13(22)19-15(24-11)20-17-8-4-7-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,19,20,22)(H3,16,18,21,23)/b7-4+,17-8+.
What are the key properties of N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135798640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).