2-amino-N-propylthiophene-3-carboxamide

C8H12N2OS — CID 11788675

IUPAC2-amino-N-propylthiophene-3-carboxamide
SMILESCCCNC(=O)c1ccsc1N
InChIInChI=1S/C8H12N2OS/c1-2-4-10-8(11)6-3-5-12-7(6)9/h3,5H,2,4,9H2,1H3,(H,10,11)
InChIKeyWXVDMOPXBLTBND-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-N-propylthiophene-3-carboxamide

2-amino-N-propylthiophene-3-carboxamide (PubChem CID 11788675) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-amino-N-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-propylthiophene-3-carboxamide
PubChem CID11788675
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-amino-N-propylthiophene-3-carboxamide
SMILESCCCNC(=O)c1ccsc1N
InChIInChI=1S/C8H12N2OS/c1-2-4-10-8(11)6-3-5-12-7(6)9/h3,5H,2,4,9H2,1H3,(H,10,11)
InChIKeyWXVDMOPXBLTBND-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 2-amino-N-propylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-propylthiophene-3-carboxamide (CID 11788675) is 2-amino-N-propylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-propylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-propylthiophene-3-carboxamide is CCCNC(=O)c1ccsc1N.
What is the InChIKey of 2-amino-N-propylthiophene-3-carboxamide?
The InChIKey is WXVDMOPXBLTBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-4-10-8(11)6-3-5-12-7(6)9/h3,5H,2,4,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-N-propylthiophene-3-carboxamide?
2-amino-N-propylthiophene-3-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 2-amino-N-propylthiophene-3-carboxamide is sourced from PubChem (CID 11788675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).