5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide

C14H24N4OS — CID 63577667

IUPAC5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCC(C)(C)N1CCN(Cc2ccc(C(=O)NN)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-14(2,3)18-8-6-17(7-9-18)10-11-4-5-12(20-11)13(19)16-15/h4-5H,6-10,15H2,1-3H3,(H,16,19)
InChIKeyCZSVLCAHCCCZEQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.27
Rot. Bonds3

About 5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide

5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63577667) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63577667
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCC(C)(C)N1CCN(Cc2ccc(C(=O)NN)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-14(2,3)18-8-6-17(7-9-18)10-11-4-5-12(20-11)13(19)16-15/h4-5H,6-10,15H2,1-3H3,(H,16,19)
InChIKeyCZSVLCAHCCCZEQ-UHFFFAOYSA-N
XLogP1.27
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.27
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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Related Compounds

N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride
CID 16196832
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 25161814
1-Cyclohexyl-4-[(5-methyl-2-thienyl)carbonyl]piperazine
CID 1245630
N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
CID 1534963
DL-Norleucine, N-(2-thienylcarbonyl)hydrazide
CID 217987
N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide
CID 12925143
1-(5-Methylthiophene-2-carbonyl)piperazine hydrochloride
CID 45791904
5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide
CID 2970628
2-[4-(5-Methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 47314734
(5-Ethylthiophen-2-yl)(4-methylpiperazin-1-yl)methanone
CID 17250256
5-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212678
5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
CID 55215206

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide (CID 63577667) is 5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide is CC(C)(C)N1CCN(Cc2ccc(C(=O)NN)s2)CC1.
What is the InChIKey of 5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is CZSVLCAHCCCZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-14(2,3)18-8-6-17(7-9-18)10-11-4-5-12(20-11)13(19)16-15/h4-5H,6-10,15H2,1-3H3,(H,16,19).
What are the key properties of 5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 296.44 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63577667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).