3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide

C12H19N3O2S — CID 103421492

IUPAC3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N(C)CC2CCC2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O2S/c1-15(6-7-4-3-5-7)12-9(17-2)8(13)10(18-12)11(14)16/h7H,3-6,13H2,1-2H3,(H2,14,16)
InChIKeyLIUZPIJKLNAEJX-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide

3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide (PubChem CID 103421492) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
PubChem CID103421492
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N(C)CC2CCC2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O2S/c1-15(6-7-4-3-5-7)12-9(17-2)8(13)10(18-12)11(14)16/h7H,3-6,13H2,1-2H3,(H2,14,16)
InChIKeyLIUZPIJKLNAEJX-UHFFFAOYSA-N
XLogP1.67
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103422154
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422116
3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide
CID 103417931
[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 107403324
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(methyl)amino]thiophene-3-carboxylate
CID 103509521
4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103421487
3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103420717
3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 107403343
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide
CID 103421451
ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103509602
3-amino-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421207

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide (CID 103421492) is 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide is COc1c(N(C)CC2CCC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide?
The InChIKey is LIUZPIJKLNAEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-15(6-7-4-3-5-7)12-9(17-2)8(13)10(18-12)11(14)16/h7H,3-6,13H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide?
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103421492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).