1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone

C14H25N3O2S — CID 106045062

IUPAC1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone
SMILESCOc1c(NCCCN(C)C(C)C)sc(C(C)=O)c1N
InChIInChI=1S/C14H25N3O2S/c1-9(2)17(4)8-6-7-16-14-12(19-5)11(15)13(20-14)10(3)18/h9,16H,6-8,15H2,1-5H3
InChIKeyJKENJBRHZJYWQT-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.68
Rot. Bonds8

About 1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone

1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone (PubChem CID 106045062) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone
PubChem CID106045062
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone
SMILESCOc1c(NCCCN(C)C(C)C)sc(C(C)=O)c1N
InChIInChI=1S/C14H25N3O2S/c1-9(2)17(4)8-6-7-16-14-12(19-5)11(15)13(20-14)10(3)18/h9,16H,6-8,15H2,1-5H3
InChIKeyJKENJBRHZJYWQT-UHFFFAOYSA-N
XLogP2.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
CID 103423278
1-[3-amino-4-methoxy-5-(4-methylpentylamino)thiophen-2-yl]propan-1-one
CID 103507063
1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
CID 103424999
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
CID 103506972
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425581
[3-amino-4-methoxy-5-(4-methylpentylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103507066
1-[3-amino-4-methoxy-5-(pentan-3-ylamino)thiophen-2-yl]ethanone
CID 103424099
1-[3-amino-4-methoxy-5-[(1-methylcyclopropyl)methylamino]thiophen-2-yl]ethanone
CID 114102753
5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
CID 103426230
3-amino-4-methoxy-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426999
4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide
CID 106044889
3-amino-4-methoxy-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425603

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone (CID 106045062) is 1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone is COc1c(NCCCN(C)C(C)C)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone?
The InChIKey is JKENJBRHZJYWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-9(2)17(4)8-6-7-16-14-12(19-5)11(15)13(20-14)10(3)18/h9,16H,6-8,15H2,1-5H3.
What are the key properties of 1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone?
1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone has a molecular weight of 299.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone is sourced from PubChem (CID 106045062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).