1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone

C7H10N2OS — CID 82412375

IUPAC1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccsc1N
InChIInChI=1S/C7H10N2OS/c1-9-4-6(10)5-2-3-11-7(5)8/h2-3,9H,4,8H2,1H3
InChIKeyBJYQZACWWYKAOA-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.73
Rot. Bonds3

About 1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone

1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone (PubChem CID 82412375) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone
PubChem CID82412375
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccsc1N
InChIInChI=1S/C7H10N2OS/c1-9-4-6(10)5-2-3-11-7(5)8/h2-3,9H,4,8H2,1H3
InChIKeyBJYQZACWWYKAOA-UHFFFAOYSA-N
XLogP0.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone (CID 82412375) is 1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone is CNCC(=O)c1ccsc1N.
What is the InChIKey of 1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone?
The InChIKey is BJYQZACWWYKAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-9-4-6(10)5-2-3-11-7(5)8/h2-3,9H,4,8H2,1H3.
What are the key properties of 1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone?
1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone has a molecular weight of 170.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 82412375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).