1-(3-amino-5-tert-butylthiophen-2-yl)ethanone

C10H15NOS — CID 2777544

IUPAC1-(3-amino-5-tert-butylthiophen-2-yl)ethanone
SMILESCC(=O)c1sc(C(C)(C)C)cc1N
InChIInChI=1S/C10H15NOS/c1-6(12)9-7(11)5-8(13-9)10(2,3)4/h5H,11H2,1-4H3
InChIKeyRBLSJHKIPYUAAF-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.83
Rot. Bonds1

About 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone

1-(3-amino-5-tert-butylthiophen-2-yl)ethanone (PubChem CID 2777544) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-tert-butylthiophen-2-yl)ethanone
PubChem CID2777544
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-(3-amino-5-tert-butylthiophen-2-yl)ethanone
SMILESCC(=O)c1sc(C(C)(C)C)cc1N
InChIInChI=1S/C10H15NOS/c1-6(12)9-7(11)5-8(13-9)10(2,3)4/h5H,11H2,1-4H3
InChIKeyRBLSJHKIPYUAAF-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone?
The IUPAC name of 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone (CID 2777544) is 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone is CC(=O)c1sc(C(C)(C)C)cc1N.
What is the InChIKey of 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone?
The InChIKey is RBLSJHKIPYUAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-6(12)9-7(11)5-8(13-9)10(2,3)4/h5H,11H2,1-4H3.
What are the key properties of 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone?
1-(3-amino-5-tert-butylthiophen-2-yl)ethanone has a molecular weight of 197.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone is sourced from PubChem (CID 2777544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).