2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone

C11H11NO2S — CID 130815604

IUPAC2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
SMILESCc1cocc1C(=O)C(N)c1cccs1
InChIInChI=1S/C11H11NO2S/c1-7-5-14-6-8(7)11(13)10(12)9-3-2-4-15-9/h2-6,10H,12H2,1H3
InChIKeyALBMTDBGYXAMFY-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.53
Rot. Bonds3

About 2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone

2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone (PubChem CID 130815604) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
PubChem CID130815604
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
SMILESCc1cocc1C(=O)C(N)c1cccs1
InChIInChI=1S/C11H11NO2S/c1-7-5-14-6-8(7)11(13)10(12)9-3-2-4-15-9/h2-6,10H,12H2,1H3
InChIKeyALBMTDBGYXAMFY-UHFFFAOYSA-N
XLogP2.53
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone
CID 116601519
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
CID 131207475
2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone
CID 116601655
2-amino-2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 115285827
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
cyclobutyl 2-amino-2-thiophen-2-ylacetate
CID 115285077
2-amino-N-methyl-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115285914
1-amino-3-methyl-1-thiophen-2-ylpentan-2-one
CID 116601464
thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate
CID 115285074
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114670723
ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 115286815

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone (CID 130815604) is 2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone is Cc1cocc1C(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone?
The InChIKey is ALBMTDBGYXAMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-5-14-6-8(7)11(13)10(12)9-3-2-4-15-9/h2-6,10H,12H2,1H3.
What are the key properties of 2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone?
2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone has a molecular weight of 221.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 130815604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).