1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone

C12H20N2O2S — CID 103421072

IUPAC1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
SMILESCCCN(CC)c1sc(C(C)=O)c(N)c1OC
InChIInChI=1S/C12H20N2O2S/c1-5-7-14(6-2)12-10(16-4)9(13)11(17-12)8(3)15/h5-7,13H2,1-4H3
InChIKeyVXXXKHAFZPCEPS-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.78
Rot. Bonds6

About 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone

1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone (PubChem CID 103421072) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
PubChem CID103421072
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
SMILESCCCN(CC)c1sc(C(C)=O)c(N)c1OC
InChIInChI=1S/C12H20N2O2S/c1-5-7-14(6-2)12-10(16-4)9(13)11(17-12)8(3)15/h5-7,13H2,1-4H3
InChIKeyVXXXKHAFZPCEPS-UHFFFAOYSA-N
XLogP2.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone with MolForge

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Related Compounds

methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
CID 103420554
3-amino-N-cyclopropyl-5-[ethyl(propyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421058
ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate
CID 103421006
1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103419257
[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103420542
methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103421004
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103420761
1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103420506
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422418
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284
[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 107403324
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103422154

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone (CID 103421072) is 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone is CCCN(CC)c1sc(C(C)=O)c(N)c1OC.
What is the InChIKey of 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone?
The InChIKey is VXXXKHAFZPCEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-7-14(6-2)12-10(16-4)9(13)11(17-12)8(3)15/h5-7,13H2,1-4H3.
What are the key properties of 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone?
1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone has a molecular weight of 256.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone is sourced from PubChem (CID 103421072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).