3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide

C12H20N4OS — CID 63641063

IUPAC3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCCN1CCN(Cc2ccsc2C(=O)NN)CC1
InChIInChI=1S/C12H20N4OS/c1-2-15-4-6-16(7-5-15)9-10-3-8-18-11(10)12(17)14-13/h3,8H,2,4-7,9,13H2,1H3,(H,14,17)
InChIKeyPPPPYNFRCVGEQO-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.49
Rot. Bonds4

About 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide

3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63641063) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63641063
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCCN1CCN(Cc2ccsc2C(=O)NN)CC1
InChIInChI=1S/C12H20N4OS/c1-2-15-4-6-16(7-5-15)9-10-3-8-18-11(10)12(17)14-13/h3,8H,2,4-7,9,13H2,1H3,(H,14,17)
InChIKeyPPPPYNFRCVGEQO-UHFFFAOYSA-N
XLogP0.49
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63640027
3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63639861
3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106674279
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336319
3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 102968725
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 107395848
3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55246482
3-(ethoxymethyl)thiophene-2-carbohydrazide
CID 63639341
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63640940
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63639887
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide (CID 63641063) is 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide is CCN1CCN(Cc2ccsc2C(=O)NN)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is PPPPYNFRCVGEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-15-4-6-16(7-5-15)9-10-3-8-18-11(10)12(17)14-13/h3,8H,2,4-7,9,13H2,1H3,(H,14,17).
What are the key properties of 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 268.39 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63641063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).