3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide

C11H20N4OS2 — CID 103422189

IUPAC3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N(C)CCN(C)C)sc(C(N)=O)c1N
InChIInChI=1S/C11H20N4OS2/c1-14(2)5-6-15(3)11-9(17-4)7(12)8(18-11)10(13)16/h5-6,12H2,1-4H3,(H2,13,16)
InChIKeyBHPHWWXOGYTBNN-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.15
Rot. Bonds6

About 3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103422189) has the molecular formula C11H20N4OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103422189
Molecular FormulaC11H20N4OS2
Molecular Weight288.44 g/mol
Exact Mass288.11
IUPAC Name3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N(C)CCN(C)C)sc(C(N)=O)c1N
InChIInChI=1S/C11H20N4OS2/c1-14(2)5-6-15(3)11-9(17-4)7(12)8(18-11)10(13)16/h5-6,12H2,1-4H3,(H2,13,16)
InChIKeyBHPHWWXOGYTBNN-UHFFFAOYSA-N
XLogP1.15
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103422266
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422116
3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103424297
3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422217
3-amino-5-[butyl(methyl)amino]-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420353
3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103420758
[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103420433
ethyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophene-2-carboxylate
CID 103417825
[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103417890
3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 107403343
3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420432
1-[3-amino-5-[benzyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103420298

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide (CID 103422189) is 3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide is CSc1c(N(C)CCN(C)C)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is BHPHWWXOGYTBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS2/c1-14(2)5-6-15(3)11-9(17-4)7(12)8(18-11)10(13)16/h5-6,12H2,1-4H3,(H2,13,16).
What are the key properties of 3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103422189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).