3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide

C12H20N4O2S — CID 103418763

IUPAC3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
SMILESCCN1CCN(c2sc(C(N)=O)c(N)c2OC)CC1
InChIInChI=1S/C12H20N4O2S/c1-3-15-4-6-16(7-5-15)12-9(18-2)8(13)10(19-12)11(14)17/h3-7,13H2,1-2H3,(H2,14,17)
InChIKeyAFVDASDDLZNKGG-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.58
Rot. Bonds4

About 3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide

3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 103418763) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
PubChem CID103418763
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
SMILESCCN1CCN(c2sc(C(N)=O)c(N)c2OC)CC1
InChIInChI=1S/C12H20N4O2S/c1-3-15-4-6-16(7-5-15)12-9(18-2)8(13)10(19-12)11(14)17/h3-7,13H2,1-2H3,(H2,14,17)
InChIKeyAFVDASDDLZNKGG-UHFFFAOYSA-N
XLogP0.58
TPSA84.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide
CID 103505458
1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one
CID 103420620
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide
CID 103420038
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
CID 103418027
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679
1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103419843
3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103422881

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide (CID 103418763) is 3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide is CCN1CCN(c2sc(C(N)=O)c(N)c2OC)CC1.
What is the InChIKey of 3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is AFVDASDDLZNKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-15-4-6-16(7-5-15)12-9(18-2)8(13)10(19-12)11(14)17/h3-7,13H2,1-2H3,(H2,14,17).
What are the key properties of 3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide?
3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103418763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).