1-(3-amino-5-methylthiophen-2-yl)ethanone

C7H9NOS — CID 18731826

IUPAC1-(3-amino-5-methylthiophen-2-yl)ethanone
SMILESCC(=O)c1sc(C)cc1N
InChIInChI=1S/C7H9NOS/c1-4-3-6(8)7(10-4)5(2)9/h3H,8H2,1-2H3
InChIKeyMCXIAYQQPAZVSH-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.84
Rot. Bonds1

About 1-(3-amino-5-methylthiophen-2-yl)ethanone

1-(3-amino-5-methylthiophen-2-yl)ethanone (PubChem CID 18731826) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(3-amino-5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-methylthiophen-2-yl)ethanone
PubChem CID18731826
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-(3-amino-5-methylthiophen-2-yl)ethanone
SMILESCC(=O)c1sc(C)cc1N
InChIInChI=1S/C7H9NOS/c1-4-3-6(8)7(10-4)5(2)9/h3H,8H2,1-2H3
InChIKeyMCXIAYQQPAZVSH-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-(3-amino-5-methylthiophen-2-yl)ethanone (CID 18731826) is 1-(3-amino-5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-5-methylthiophen-2-yl)ethanone is CC(=O)c1sc(C)cc1N.
What is the InChIKey of 1-(3-amino-5-methylthiophen-2-yl)ethanone?
The InChIKey is MCXIAYQQPAZVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-4-3-6(8)7(10-4)5(2)9/h3H,8H2,1-2H3.
What are the key properties of 1-(3-amino-5-methylthiophen-2-yl)ethanone?
1-(3-amino-5-methylthiophen-2-yl)ethanone has a molecular weight of 155.22 g/mol, XLogP of 1.84, 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-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 18731826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).