methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate

C12H21N3O3S — CID 103506972

IUPACmethyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(NCC(C)N(C)C)c(OC)c1N
InChIInChI=1S/C12H21N3O3S/c1-7(15(2)3)6-14-11-9(17-4)8(13)10(19-11)12(16)18-5/h7,14H,6,13H2,1-5H3
InChIKeyFDTFDGJXHWWOOG-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.49
Rot. Bonds6

About methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate

methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate (PubChem CID 103506972) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
PubChem CID103506972
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Namemethyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(NCC(C)N(C)C)c(OC)c1N
InChIInChI=1S/C12H21N3O3S/c1-7(15(2)3)6-14-11-9(17-4)8(13)10(19-11)12(16)18-5/h7,14H,6,13H2,1-5H3
InChIKeyFDTFDGJXHWWOOG-UHFFFAOYSA-N
XLogP1.49
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103506924
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455
methyl 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103505710
ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103506893
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone
CID 106045062
3-amino-4-methoxy-N,N-dimethyl-5-(propan-2-ylamino)thiophene-2-carboxamide
CID 103423279
ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
CID 103424571
1-[3-amino-4-methoxy-5-(4-methylpentylamino)thiophen-2-yl]propan-1-one
CID 103507063
ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424037
ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296512
3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103506984

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate (CID 103506972) is methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate is COC(=O)c1sc(NCC(C)N(C)C)c(OC)c1N.
What is the InChIKey of methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate?
The InChIKey is FDTFDGJXHWWOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-7(15(2)3)6-14-11-9(17-4)8(13)10(19-11)12(16)18-5/h7,14H,6,13H2,1-5H3.
What are the key properties of methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate?
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate has a molecular weight of 287.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 103506972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).