3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide

C11H17N3O2S2 — CID 103417444

IUPAC3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide
SMILESCCCNC(=O)c1sc(SCC)c(C(N)=O)c1N
InChIInChI=1S/C11H17N3O2S2/c1-3-5-14-10(16)8-7(12)6(9(13)15)11(18-8)17-4-2/h3-5,12H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyZZLTXMICHPCOCB-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.68
Rot. Bonds6

About 3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide

3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide (PubChem CID 103417444) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide
PubChem CID103417444
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide
SMILESCCCNC(=O)c1sc(SCC)c(C(N)=O)c1N
InChIInChI=1S/C11H17N3O2S2/c1-3-5-14-10(16)8-7(12)6(9(13)15)11(18-8)17-4-2/h3-5,12H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyZZLTXMICHPCOCB-UHFFFAOYSA-N
XLogP1.68
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide (CID 103417444) is 3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide is CCCNC(=O)c1sc(SCC)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide?
The InChIKey is ZZLTXMICHPCOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-3-5-14-10(16)8-7(12)6(9(13)15)11(18-8)17-4-2/h3-5,12H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide?
3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103417444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).