1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone

C8H11NOS — CID 539423

IUPAC1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone
SMILESCNc1sc(C(C)=O)cc1C
InChIInChI=1S/C8H11NOS/c1-5-4-7(6(2)10)11-8(5)9-3/h4,9H,1-3H3
InChIKeyABBGEWMUTUQRTK-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.30
Rot. Bonds2

About 1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone

1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone (PubChem CID 539423) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone
PubChem CID539423
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone
SMILESCNc1sc(C(C)=O)cc1C
InChIInChI=1S/C8H11NOS/c1-5-4-7(6(2)10)11-8(5)9-3/h4,9H,1-3H3
InChIKeyABBGEWMUTUQRTK-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone (CID 539423) is 1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone is CNc1sc(C(C)=O)cc1C.
What is the InChIKey of 1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone?
The InChIKey is ABBGEWMUTUQRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5-4-7(6(2)10)11-8(5)9-3/h4,9H,1-3H3.
What are the key properties of 1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone?
1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone has a molecular weight of 169.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(methylamino)thiophen-2-yl]ethanone is sourced from PubChem (CID 539423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).