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

C12H17F3N4OS — CID 63641418

IUPAC3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H17F3N4OS/c13-12(14,15)8-19-4-2-18(3-5-19)7-9-1-6-21-10(9)11(20)17-16/h1,6H,2-5,7-8,16H2,(H,17,20)
InChIKeySLPFDYSFXSODNI-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.03
Rot. Bonds4

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

3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide (PubChem CID 63641418) has the molecular formula C12H17F3N4OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
PubChem CID63641418
Molecular FormulaC12H17F3N4OS
Molecular Weight322.36 g/mol
Exact Mass322.11
IUPAC Name3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H17F3N4OS/c13-12(14,15)8-19-4-2-18(3-5-19)7-9-1-6-21-10(9)11(20)17-16/h1,6H,2-5,7-8,16H2,(H,17,20)
InChIKeySLPFDYSFXSODNI-UHFFFAOYSA-N
XLogP1.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.03
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-(2,2,2-trifluoroethyl)piperazin-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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide (CID 63641418) is 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
The InChIKey is SLPFDYSFXSODNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4OS/c13-12(14,15)8-19-4-2-18(3-5-19)7-9-1-6-21-10(9)11(20)17-16/h1,6H,2-5,7-8,16H2,(H,17,20).
What are the key properties of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide has a molecular weight of 322.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63641418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).