1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone

C11H17N3OS — CID 103419290

IUPAC1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CCN(C)CC2)cc1N
InChIInChI=1S/C11H17N3OS/c1-8(15)11-9(12)7-10(16-11)14-5-3-13(2)4-6-14/h7H,3-6,12H2,1-2H3
InChIKeyVXLOCGUIEMKERT-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.28
Rot. Bonds2

About 1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone

1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone (PubChem CID 103419290) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
PubChem CID103419290
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CCN(C)CC2)cc1N
InChIInChI=1S/C11H17N3OS/c1-8(15)11-9(12)7-10(16-11)14-5-3-13(2)4-6-14/h7H,3-6,12H2,1-2H3
InChIKeyVXLOCGUIEMKERT-UHFFFAOYSA-N
XLogP1.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
CID 103419327
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
1-[3-amino-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103420625
1-[3-amino-5-(4-propan-2-ylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422612
3-amino-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 103419126
[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103418719
1-(3-amino-5-methylthiophen-2-yl)ethanone
CID 18731826
methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
CID 103508852
1-[3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanylthiophen-2-yl]ethanone
CID 103419298
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343
1-[3-amino-5-(1,4-diazepan-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103524875
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone (CID 103419290) is 1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone is CC(=O)c1sc(N2CCN(C)CC2)cc1N.
What is the InChIKey of 1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone?
The InChIKey is VXLOCGUIEMKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(15)11-9(12)7-10(16-11)14-5-3-13(2)4-6-14/h7H,3-6,12H2,1-2H3.
What are the key properties of 1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone?
1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone has a molecular weight of 239.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 103419290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).