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

C14H16N2OS — CID 103420289

IUPAC1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N(C)Cc2ccccc2)cc1N
InChIInChI=1S/C14H16N2OS/c1-10(17)14-12(15)8-13(18-14)16(2)9-11-6-4-3-5-7-11/h3-8H,9,15H2,1-2H3
InChIKeyLVWDSTMDWGLIAY-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.17
Rot. Bonds4

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

1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone (PubChem CID 103420289) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
PubChem CID103420289
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N(C)Cc2ccccc2)cc1N
InChIInChI=1S/C14H16N2OS/c1-10(17)14-12(15)8-13(18-14)16(2)9-11-6-4-3-5-7-11/h3-8H,9,15H2,1-2H3
InChIKeyLVWDSTMDWGLIAY-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
CID 103420317
3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103420709
3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103418162
1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509289
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide
CID 103509283
methyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]thiophene-2-carboxylate
CID 103526608
3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide
CID 103526615
1-(3-amino-5-phenylthiophen-2-yl)ethanone
CID 2807849
1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
CID 57302328
1-[3-amino-5-[benzyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103420298
1-(3-amino-5-methylthiophen-2-yl)ethanone
CID 18731826
1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone
CID 103418163

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone (CID 103420289) is 1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone is CC(=O)c1sc(N(C)Cc2ccccc2)cc1N.
What is the InChIKey of 1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone?
The InChIKey is LVWDSTMDWGLIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10(17)14-12(15)8-13(18-14)16(2)9-11-6-4-3-5-7-11/h3-8H,9,15H2,1-2H3.
What are the key properties of 1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone?
1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone is sourced from PubChem (CID 103420289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).