5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide

C12H17F3N4OS — CID 63584825

IUPAC5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C12H17F3N4OS/c13-12(14,15)8-19-5-3-18(4-6-19)7-9-1-2-10(21-9)11(20)17-16/h1-2H,3-8,16H2,(H,17,20)
InChIKeyZGZHNIHZUMEZEQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.03
Rot. Bonds4

About 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide

5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide (PubChem CID 63584825) has the molecular formula C12H17F3N4OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
PubChem CID63584825
Molecular FormulaC12H17F3N4OS
Molecular Weight322.36 g/mol
Exact Mass322.11
IUPAC Name5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C12H17F3N4OS/c13-12(14,15)8-19-5-3-18(4-6-19)7-9-1-2-10(21-9)11(20)17-16/h1-2H,3-8,16H2,(H,17,20)
InChIKeyZGZHNIHZUMEZEQ-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide (CID 63584825) is 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide is NNC(=O)c1ccc(CN2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
The InChIKey is ZGZHNIHZUMEZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4OS/c13-12(14,15)8-19-5-3-18(4-6-19)7-9-1-2-10(21-9)11(20)17-16/h1-2H,3-8,16H2,(H,17,20).
What are the key properties of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide?
5-[[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 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63584825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).