dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate

C13H14N2O4S2 — CID 103427207

IUPACdimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NCc2cccs2)c(C(=O)OC)c1N
InChIInChI=1S/C13H14N2O4S2/c1-18-12(16)8-9(14)10(13(17)19-2)21-11(8)15-6-7-4-3-5-20-7/h3-5,15H,6,14H2,1-2H3
InChIKeyGRHYUUFPLNNCHB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.58
Rot. Bonds5

About dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate

dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate (PubChem CID 103427207) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate
PubChem CID103427207
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Namedimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NCc2cccs2)c(C(=O)OC)c1N
InChIInChI=1S/C13H14N2O4S2/c1-18-12(16)8-9(14)10(13(17)19-2)21-11(8)15-6-7-4-3-5-20-7/h3-5,15H,6,14H2,1-2H3
InChIKeyGRHYUUFPLNNCHB-UHFFFAOYSA-N
XLogP2.58
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-amino-5-carbamoyl-2-(thiophen-2-ylmethylamino)thiophene-3-carboxylate
CID 103427232
3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide
CID 103427267
methyl 2-amino-3-(thiophen-2-ylmethylamino)benzoate
CID 113332550
dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate
CID 106412893
3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide
CID 103427234
2-O-ethyl 4-O-methyl 3-amino-5-(propylamino)thiophene-2,4-dicarboxylate
CID 103423073
N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 5140977
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423814
4-O-ethyl 2-O-methyl 3-amino-5-(cyclopropylmethylamino)thiophene-2,4-dicarboxylate
CID 103424618
methyl 4-amino-5-carbamoyl-2-(3-methylbut-2-enylamino)thiophene-3-carboxylate
CID 106199151
methyl 4-amino-2-(2-methoxyethylamino)-5-propanoylthiophene-3-carboxylate
CID 103423447
methyl 5-acetyl-4-amino-2-(pentylamino)thiophene-3-carboxylate
CID 103425363

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate (CID 103427207) is dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate is COC(=O)c1sc(NCc2cccs2)c(C(=O)OC)c1N.
What is the InChIKey of dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate?
The InChIKey is GRHYUUFPLNNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-18-12(16)8-9(14)10(13(17)19-2)21-11(8)15-6-7-4-3-5-20-7/h3-5,15H,6,14H2,1-2H3.
What are the key properties of dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate?
dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 103427207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).