2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone

C10H14ClN3OS — CID 82484285

IUPAC2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H14ClN3OS/c11-8-1-2-10(16-8)14-5-3-13(4-6-14)9(15)7-12/h1-2H,3-7,12H2
InChIKeyCRZKMBLISNCXIW-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.01
Rot. Bonds2

About 2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone

2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone (PubChem CID 82484285) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone
PubChem CID82484285
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H14ClN3OS/c11-8-1-2-10(16-8)14-5-3-13(4-6-14)9(15)7-12/h1-2H,3-7,12H2
InChIKeyCRZKMBLISNCXIW-UHFFFAOYSA-N
XLogP1.01
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone (CID 82484285) is 2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone is NCC(=O)N1CCN(c2ccc(Cl)s2)CC1.
What is the InChIKey of 2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone?
The InChIKey is CRZKMBLISNCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c11-8-1-2-10(16-8)14-5-3-13(4-6-14)9(15)7-12/h1-2H,3-7,12H2.
What are the key properties of 2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone?
2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone has a molecular weight of 259.76 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82484285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).