2-amino-N-prop-2-enylthiophene-3-carboxamide

C8H10N2OS — CID 53383643

IUPAC2-amino-N-prop-2-enylthiophene-3-carboxamide
SMILESC=CCNC(=O)c1ccsc1N
InChIInChI=1S/C8H10N2OS/c1-2-4-10-8(11)6-3-5-12-7(6)9/h2-3,5H,1,4,9H2,(H,10,11)
InChIKeyIZMKMVXNQCYUFG-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-N-prop-2-enylthiophene-3-carboxamide

2-amino-N-prop-2-enylthiophene-3-carboxamide (PubChem CID 53383643) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-amino-N-prop-2-enylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-prop-2-enylthiophene-3-carboxamide
PubChem CID53383643
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-amino-N-prop-2-enylthiophene-3-carboxamide
SMILESC=CCNC(=O)c1ccsc1N
InChIInChI=1S/C8H10N2OS/c1-2-4-10-8(11)6-3-5-12-7(6)9/h2-3,5H,1,4,9H2,(H,10,11)
InChIKeyIZMKMVXNQCYUFG-UHFFFAOYSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-prop-2-enylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-prop-2-enylthiophene-3-carboxamide (CID 53383643) is 2-amino-N-prop-2-enylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-prop-2-enylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-prop-2-enylthiophene-3-carboxamide is C=CCNC(=O)c1ccsc1N.
What is the InChIKey of 2-amino-N-prop-2-enylthiophene-3-carboxamide?
The InChIKey is IZMKMVXNQCYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-2-4-10-8(11)6-3-5-12-7(6)9/h2-3,5H,1,4,9H2,(H,10,11).
What are the key properties of 2-amino-N-prop-2-enylthiophene-3-carboxamide?
2-amino-N-prop-2-enylthiophene-3-carboxamide has a molecular weight of 182.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-prop-2-enylthiophene-3-carboxamide is sourced from PubChem (CID 53383643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).