methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate

C12H18N2O3S — CID 103420280

IUPACmethyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(N(C)C)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C12H18N2O3S/c1-6(2)9(15)10-8(13)7(12(16)17-5)11(18-10)14(3)4/h6H,13H2,1-5H3
InChIKeyLWVDDBZARPZCED-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.02
Rot. Bonds4

About methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate

methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate (PubChem CID 103420280) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate
PubChem CID103420280
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(N(C)C)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C12H18N2O3S/c1-6(2)9(15)10-8(13)7(12(16)17-5)11(18-10)14(3)4/h6H,13H2,1-5H3
InChIKeyLWVDDBZARPZCED-UHFFFAOYSA-N
XLogP2.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103420209
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
CID 103420277
methyl 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103422230
methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103420870
4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103417879
methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103420197
methyl 5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carboxylate
CID 103420356
ethyl 4-amino-2-(dimethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103420145
3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103420269
1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
methyl 4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carboxylate
CID 103509440

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate?
The IUPAC name of methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate (CID 103420280) is methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate is COC(=O)c1c(N(C)C)sc(C(=O)C(C)C)c1N.
What is the InChIKey of methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate?
The InChIKey is LWVDDBZARPZCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-6(2)9(15)10-8(13)7(12(16)17-5)11(18-10)14(3)4/h6H,13H2,1-5H3.
What are the key properties of methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate?
methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate is sourced from PubChem (CID 103420280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).