methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate

C14H16N2O2S — CID 103420317

IUPACmethyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(N(C)Cc2ccccc2)cc1N
InChIInChI=1S/C14H16N2O2S/c1-16(9-10-6-4-3-5-7-10)12-8-11(15)13(19-12)14(17)18-2/h3-8H,9,15H2,1-2H3
InChIKeyCNJRIZICXPSQLR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.75
Rot. Bonds4

About methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate

methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate (PubChem CID 103420317) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
PubChem CID103420317
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(N(C)Cc2ccccc2)cc1N
InChIInChI=1S/C14H16N2O2S/c1-16(9-10-6-4-3-5-7-10)12-8-11(15)13(19-12)14(17)18-2/h3-8H,9,15H2,1-2H3
InChIKeyCNJRIZICXPSQLR-UHFFFAOYSA-N
XLogP2.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]thiophene-2-carboxylate
CID 103526608
1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
CID 103420289
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
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide
CID 103509283
1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509289
3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide
CID 103526615
1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509028
methyl 2-[benzyl(methyl)amino]-5-nitrothiophene-3-carboxylate
CID 10859740
methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate
CID 61109705
1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103417679
methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate
CID 45089587

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate (CID 103420317) is methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate is COC(=O)c1sc(N(C)Cc2ccccc2)cc1N.
What is the InChIKey of methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate?
The InChIKey is CNJRIZICXPSQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16(9-10-6-4-3-5-7-10)12-8-11(15)13(19-12)14(17)18-2/h3-8H,9,15H2,1-2H3.
What are the key properties of methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate?
methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 103420317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).