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

C12H20N4O2S — CID 63640027

IUPAC3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1CCN(CCO)CC1
InChIInChI=1S/C12H20N4O2S/c13-14-12(18)11-10(1-8-19-11)9-16-4-2-15(3-5-16)6-7-17/h1,8,17H,2-7,9,13H2,(H,14,18)
InChIKeyOLPFSSGSEBQDOC-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.54
Rot. Bonds5

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

3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide (PubChem CID 63640027) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
PubChem CID63640027
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1CCN(CCO)CC1
InChIInChI=1S/C12H20N4O2S/c13-14-12(18)11-10(1-8-19-11)9-16-4-2-15(3-5-16)6-7-17/h1,8,17H,2-7,9,13H2,(H,14,18)
InChIKeyOLPFSSGSEBQDOC-UHFFFAOYSA-N
XLogP-0.54
TPSA81.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide (CID 63640027) is 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1CN1CCN(CCO)CC1.
What is the InChIKey of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
The InChIKey is OLPFSSGSEBQDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c13-14-12(18)11-10(1-8-19-11)9-16-4-2-15(3-5-16)6-7-17/h1,8,17H,2-7,9,13H2,(H,14,18).
What are the key properties of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide has a molecular weight of 284.38 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63640027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).