5-amino-N-ethyl-3-methylthiophene-2-carboxamide

C8H12N2OS — CID 58873896

IUPAC5-amino-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N)cc1C
InChIInChI=1S/C8H12N2OS/c1-3-10-8(11)7-5(2)4-6(9)12-7/h4H,3,9H2,1-2H3,(H,10,11)
InChIKeyDFSIHWWZNIGBTM-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.39
Rot. Bonds2

About 5-amino-N-ethyl-3-methylthiophene-2-carboxamide

5-amino-N-ethyl-3-methylthiophene-2-carboxamide (PubChem CID 58873896) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-amino-N-ethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-3-methylthiophene-2-carboxamide
PubChem CID58873896
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-amino-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N)cc1C
InChIInChI=1S/C8H12N2OS/c1-3-10-8(11)7-5(2)4-6(9)12-7/h4H,3,9H2,1-2H3,(H,10,11)
InChIKeyDFSIHWWZNIGBTM-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-amino-N-ethyl-3-methylthiophene-2-carboxamide (CID 58873896) is 5-amino-N-ethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-3-methylthiophene-2-carboxamide is CCNC(=O)c1sc(N)cc1C.
What is the InChIKey of 5-amino-N-ethyl-3-methylthiophene-2-carboxamide?
The InChIKey is DFSIHWWZNIGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-10-8(11)7-5(2)4-6(9)12-7/h4H,3,9H2,1-2H3,(H,10,11).
What are the key properties of 5-amino-N-ethyl-3-methylthiophene-2-carboxamide?
5-amino-N-ethyl-3-methylthiophene-2-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 58873896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).