5-amino-N-propylthiophene-2-carboxamide

C8H12N2OS — CID 15907415

IUPAC5-amino-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(N)s1
InChIInChI=1S/C8H12N2OS/c1-2-5-10-8(11)6-3-4-7(9)12-6/h3-4H,2,5,9H2,1H3,(H,10,11)
InChIKeyDKAYRSMMCKKUJY-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.47
Rot. Bonds3

About 5-amino-N-propylthiophene-2-carboxamide

5-amino-N-propylthiophene-2-carboxamide (PubChem CID 15907415) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-amino-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-propylthiophene-2-carboxamide
PubChem CID15907415
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-amino-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(N)s1
InChIInChI=1S/C8H12N2OS/c1-2-5-10-8(11)6-3-4-7(9)12-6/h3-4H,2,5,9H2,1H3,(H,10,11)
InChIKeyDKAYRSMMCKKUJY-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-amino-N-propylthiophene-2-carboxamide (CID 15907415) is 5-amino-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-propylthiophene-2-carboxamide is CCCNC(=O)c1ccc(N)s1.
What is the InChIKey of 5-amino-N-propylthiophene-2-carboxamide?
The InChIKey is DKAYRSMMCKKUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-5-10-8(11)6-3-4-7(9)12-6/h3-4H,2,5,9H2,1H3,(H,10,11).
What are the key properties of 5-amino-N-propylthiophene-2-carboxamide?
5-amino-N-propylthiophene-2-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 15907415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).