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

C12H21N3OS2 — CID 103420758

IUPAC3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide
SMILESCCN(CC(C)C)c1sc(C(N)=O)c(N)c1SC
InChIInChI=1S/C12H21N3OS2/c1-5-15(6-7(2)3)12-10(17-4)8(13)9(18-12)11(14)16/h7H,5-6,13H2,1-4H3,(H2,14,16)
InChIKeyVCSGECYCXQBTJL-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.63
Rot. Bonds6

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

3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103420758) has the molecular formula C12H21N3OS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103420758
Molecular FormulaC12H21N3OS2
Molecular Weight287.45 g/mol
Exact Mass287.11
IUPAC Name3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide
SMILESCCN(CC(C)C)c1sc(C(N)=O)c(N)c1SC
InChIInChI=1S/C12H21N3OS2/c1-5-15(6-7(2)3)12-10(17-4)8(13)9(18-12)11(14)16/h7H,5-6,13H2,1-4H3,(H2,14,16)
InChIKeyVCSGECYCXQBTJL-UHFFFAOYSA-N
XLogP2.63
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide (CID 103420758) is 3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide is CCN(CC(C)C)c1sc(C(N)=O)c(N)c1SC.
What is the InChIKey of 3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is VCSGECYCXQBTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS2/c1-5-15(6-7(2)3)12-10(17-4)8(13)9(18-12)11(14)16/h7H,5-6,13H2,1-4H3,(H2,14,16).
What are the key properties of 3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 287.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103420758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).