2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

C11H12N4O2S — CID 6338643

IUPAC2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1cc(=O)[nH][nH]1)c1cccs1
InChIInChI=1S/C11H12N4O2S/c1-7(9-3-2-4-18-9)12-14-10(16)5-8-6-11(17)15-13-8/h2-4,6H,5H2,1H3,(H,14,16)(H2,13,15,17)/b12-7-
InChIKeyUOYHZPUVWOXHEG-GHXNOFRVSA-N
MW264.31 g/mol
LogP0.85
Rot. Bonds4

About 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 6338643) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID6338643
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1cc(=O)[nH][nH]1)c1cccs1
InChIInChI=1S/C11H12N4O2S/c1-7(9-3-2-4-18-9)12-14-10(16)5-8-6-11(17)15-13-8/h2-4,6H,5H2,1H3,(H,14,16)(H2,13,15,17)/b12-7-
InChIKeyUOYHZPUVWOXHEG-GHXNOFRVSA-N
XLogP0.85
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126263054
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
2,2-diphenyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 969030
N-[(E)-1-thiophen-2-ylethylideneamino]nonanamide
CID 6307256
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814
N-(1-thiophen-2-ylethylideneamino)dodecanamide
CID 4295829
3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 3828723
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 5143876
N-[(3-methylthiophen-2-yl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 671297
2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
CID 25237592
N',N'-diphenyl-N-(1-thiophen-2-ylethylideneamino)butanediamide
CID 3886917

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (CID 6338643) is 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is C/C(=N/NC(=O)Cc1cc(=O)[nH][nH]1)c1cccs1.
What is the InChIKey of 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is UOYHZPUVWOXHEG-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7(9-3-2-4-18-9)12-14-10(16)5-8-6-11(17)15-13-8/h2-4,6H,5H2,1H3,(H,14,16)(H2,13,15,17)/b12-7-.
What are the key properties of 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 264.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 6338643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).