1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone

C10H9NOS2 — CID 2808701

IUPAC1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone
SMILESCC(=O)c1sc(-c2cccs2)cc1N
InChIInChI=1S/C10H9NOS2/c1-6(12)10-7(11)5-9(14-10)8-3-2-4-13-8/h2-5H,11H2,1H3
InChIKeyPFKPQQACVRXISQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.26
Rot. Bonds2

About 1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone

1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone (PubChem CID 2808701) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone
PubChem CID2808701
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone
SMILESCC(=O)c1sc(-c2cccs2)cc1N
InChIInChI=1S/C10H9NOS2/c1-6(12)10-7(11)5-9(14-10)8-3-2-4-13-8/h2-5H,11H2,1H3
InChIKeyPFKPQQACVRXISQ-UHFFFAOYSA-N
XLogP3.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone?
The IUPAC name of 1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone (CID 2808701) is 1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone is CC(=O)c1sc(-c2cccs2)cc1N.
What is the InChIKey of 1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone?
The InChIKey is PFKPQQACVRXISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-6(12)10-7(11)5-9(14-10)8-3-2-4-13-8/h2-5H,11H2,1H3.
What are the key properties of 1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone?
1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone has a molecular weight of 223.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-thiophen-2-ylthiophen-2-yl)ethanone is sourced from PubChem (CID 2808701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).