1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one

C12H20N2O2S — CID 103419257

IUPAC1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(CC)CC)c(OC)c1N
InChIInChI=1S/C12H20N2O2S/c1-5-8(15)11-9(13)10(16-4)12(17-11)14(6-2)7-3/h5-7,13H2,1-4H3
InChIKeyCCVGXVNIZJYARB-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.78
Rot. Bonds6

About 1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one

1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one (PubChem CID 103419257) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one
PubChem CID103419257
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(CC)CC)c(OC)c1N
InChIInChI=1S/C12H20N2O2S/c1-5-8(15)11-9(13)10(16-4)12(17-11)14(6-2)7-3/h5-7,13H2,1-4H3
InChIKeyCCVGXVNIZJYARB-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

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Related Compounds

1-[3-amino-4-methoxy-5-[methyl(2-methylpropyl)amino]thiophen-2-yl]propan-1-one
CID 103421218
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420796
1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103421072
methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
CID 103420554
1-[3-amino-4-methoxy-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
CID 103422855
[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103420542
[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 107403324
methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158
3-amino-N-cyclopropyl-5-[ethyl(propyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421058
1-[3-amino-4-methoxy-5-[(2-methylcyclopropyl)amino]thiophen-2-yl]propan-1-one
CID 103526142
1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103423034
1-[3-amino-4-methoxy-5-(4-methylpentylamino)thiophen-2-yl]propan-1-one
CID 103507063

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one (CID 103419257) is 1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one is CCC(=O)c1sc(N(CC)CC)c(OC)c1N.
What is the InChIKey of 1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one?
The InChIKey is CCVGXVNIZJYARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-8(15)11-9(13)10(16-4)12(17-11)14(6-2)7-3/h5-7,13H2,1-4H3.
What are the key properties of 1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one?
1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one 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-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one is sourced from PubChem (CID 103419257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).