2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride

C20H28Cl2N4O2S — CID 67029947

IUPAC2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride
SMILESCC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)s2)CC1.Cl.Cl
InChIInChI=1S/C20H26N4O2S.2ClH/c1-15(25)23-10-12-24(13-11-23)20-9-8-18(27-20)7-6-16-2-4-17(5-3-16)14-19(26)22-21;;/h2-5,8-9H,6-7,10-14,21H2,1H3,(H,22,26);2*1H
InChIKeyCKVUBVHCLMAHHS-UHFFFAOYSA-N
MW459.44 g/mol
LogP2.58
Rot. Bonds6

About 2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride

2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride (PubChem CID 67029947) has the molecular formula C20H28Cl2N4O2S and a molecular weight of 459.44 g/mol. Its IUPAC name is 2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride
PubChem CID67029947
Molecular FormulaC20H28Cl2N4O2S
Molecular Weight459.44 g/mol
Exact Mass458.13
IUPAC Name2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride
SMILESCC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)s2)CC1.Cl.Cl
InChIInChI=1S/C20H26N4O2S.2ClH/c1-15(25)23-10-12-24(13-11-23)20-9-8-18(27-20)7-6-16-2-4-17(5-3-16)14-19(26)22-21;;/h2-5,8-9H,6-7,10-14,21H2,1H3,(H,22,26);2*1H
InChIKeyCKVUBVHCLMAHHS-UHFFFAOYSA-N
XLogP2.58
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 52.58
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 2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The IUPAC name of 2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride (CID 67029947) is 2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The canonical SMILES for 2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride is CC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)s2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The InChIKey is CKVUBVHCLMAHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S.2ClH/c1-15(25)23-10-12-24(13-11-23)20-9-8-18(27-20)7-6-16-2-4-17(5-3-16)14-19(26)22-21;;/h2-5,8-9H,6-7,10-14,21H2,1H3,(H,22,26);2*1H.
What are the key properties of 2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride?
2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride has a molecular weight of 459.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride is sourced from PubChem (CID 67029947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).