1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone

C8H11FN2OS — CID 130505186

IUPAC1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCF)cc1N
InChIInChI=1S/C8H11FN2OS/c1-5(12)8-6(10)4-7(13-8)11-3-2-9/h4,11H,2-3,10H2,1H3
InChIKeyLATKWFCVQQZWIF-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.91
Rot. Bonds4

About 1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone

1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone (PubChem CID 130505186) has the molecular formula C8H11FN2OS and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
PubChem CID130505186
Molecular FormulaC8H11FN2OS
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC Name1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCF)cc1N
InChIInChI=1S/C8H11FN2OS/c1-5(12)8-6(10)4-7(13-8)11-3-2-9/h4,11H,2-3,10H2,1H3
InChIKeyLATKWFCVQQZWIF-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
CID 103426166
1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone
CID 114098802
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
1-[3-amino-5-[(1-ethylcyclobutyl)methylamino]thiophen-2-yl]ethanone
CID 114110179
1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone
CID 106412894
3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide
CID 103424880
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
1-[3-amino-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425678
1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
CID 103508445
1-[3-amino-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505977
3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505964
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone (CID 130505186) is 1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone is CC(=O)c1sc(NCCF)cc1N.
What is the InChIKey of 1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone?
The InChIKey is LATKWFCVQQZWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS/c1-5(12)8-6(10)4-7(13-8)11-3-2-9/h4,11H,2-3,10H2,1H3.
What are the key properties of 1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone?
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone has a molecular weight of 202.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone is sourced from PubChem (CID 130505186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).