N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

C10H16N4O2S — CID 135828139

IUPACN-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESC=C(C)N/N=C1/NC(=O)[C@H](CC(=O)NCC)S1
InChIInChI=1S/C10H16N4O2S/c1-4-11-8(15)5-7-9(16)12-10(17-7)14-13-6(2)3/h7,13H,2,4-5H2,1,3H3,(H,11,15)(H,12,14,16)/t7-/m0/s1
InChIKeyJVYRQJGKSWOHHW-ZETCQYMHSA-N
MW256.33 g/mol
LogP0.14
Rot. Bonds5

About N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135828139) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
PubChem CID135828139
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESC=C(C)N/N=C1/NC(=O)[C@H](CC(=O)NCC)S1
InChIInChI=1S/C10H16N4O2S/c1-4-11-8(15)5-7-9(16)12-10(17-7)14-13-6(2)3/h7,13H,2,4-5H2,1,3H3,(H,11,15)(H,12,14,16)/t7-/m0/s1
InChIKeyJVYRQJGKSWOHHW-ZETCQYMHSA-N
XLogP0.14
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(3,4-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135828133
N-ethyl-2-[4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 172942517
N-ethyl-2-[(5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 137085060
2-[2-(but-2-en-2-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135474895
2-[(2E,5S)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
CID 135725374
2-[(2E,5S)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
CID 135659652
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135828103
2-[4-oxo-2-[1-(3,4,5-trimethoxyphenyl)ethenylhydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 135510804
N-(4-methylphenyl)-2-[(2Z)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135715134
N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135909761
N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618409

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (CID 135828139) is N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is C=C(C)N/N=C1/NC(=O)[C@H](CC(=O)NCC)S1.
What is the InChIKey of N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is JVYRQJGKSWOHHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-4-11-8(15)5-7-9(16)12-10(17-7)14-13-6(2)3/h7,13H,2,4-5H2,1,3H3,(H,11,15)(H,12,14,16)/t7-/m0/s1.
What are the key properties of N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2Z,5S)-4-oxo-2-(prop-1-en-2-ylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135828139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).