1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one

C10H16N2O2S — CID 103423434

IUPAC1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NCCOC)cc1N
InChIInChI=1S/C10H16N2O2S/c1-3-8(13)10-7(11)6-9(15-10)12-4-5-14-2/h6,12H,3-5,11H2,1-2H3
InChIKeyIGZSHMUGDKXKIE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.98
Rot. Bonds6

About 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one

1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one (PubChem CID 103423434) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
PubChem CID103423434
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NCCOC)cc1N
InChIInChI=1S/C10H16N2O2S/c1-3-8(13)10-7(11)6-9(15-10)12-4-5-14-2/h6,12H,3-5,11H2,1-2H3
InChIKeyIGZSHMUGDKXKIE-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one
CID 106262781
1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
CID 103424660
1-[3-amino-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505977
1-[3-amino-5-(5,5,5-trifluoropentylamino)thiophen-2-yl]propan-1-one
CID 103506034
1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
CID 103507976
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123
3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426968
methyl 4-amino-2-(2-methoxyethylamino)-5-propanoylthiophene-3-carboxylate
CID 103423447
1-[3-amino-5-[(2,4-difluorophenyl)methylamino]thiophen-2-yl]propan-1-one
CID 103525840

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one (CID 103423434) is 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one is CCC(=O)c1sc(NCCOC)cc1N.
What is the InChIKey of 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one?
The InChIKey is IGZSHMUGDKXKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-8(13)10-7(11)6-9(15-10)12-4-5-14-2/h6,12H,3-5,11H2,1-2H3.
What are the key properties of 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one?
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one has a molecular weight of 228.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103423434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).