dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate

C11H12N4O5S — CID 106412893

IUPACdimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NCc2ncon2)c(C(=O)OC)c1N
InChIInChI=1S/C11H12N4O5S/c1-18-10(16)6-7(12)8(11(17)19-2)21-9(6)13-3-5-14-4-20-15-5/h4,13H,3,12H2,1-2H3
InChIKeyRBBFVJIKVNOERN-UHFFFAOYSA-N
MW312.31 g/mol
LogP0.90
Rot. Bonds5

About dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate

dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate (PubChem CID 106412893) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate
PubChem CID106412893
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Namedimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NCc2ncon2)c(C(=O)OC)c1N
InChIInChI=1S/C11H12N4O5S/c1-18-10(16)6-7(12)8(11(17)19-2)21-9(6)13-3-5-14-4-20-15-5/h4,13H,3,12H2,1-2H3
InChIKeyRBBFVJIKVNOERN-UHFFFAOYSA-N
XLogP0.90
TPSA129.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide
CID 106412904
3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide
CID 106412968
methyl 3-amino-4-cyclopropyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxylate
CID 106413091
dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate
CID 103427207
4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile
CID 106412944
methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
CID 106407309
1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone
CID 106412894
methyl 4-amino-5-carbamoyl-2-(thiophen-2-ylmethylamino)thiophene-3-carboxylate
CID 103427232
4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412716
4-O-ethyl 2-O-methyl 3-amino-5-(ethylamino)thiophene-2,4-dicarboxylate
CID 103424477
2-O-ethyl 4-O-methyl 3-amino-5-(propylamino)thiophene-2,4-dicarboxylate
CID 103423073
4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106412648

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate (CID 106412893) is dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate is COC(=O)c1sc(NCc2ncon2)c(C(=O)OC)c1N.
What is the InChIKey of dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate?
The InChIKey is RBBFVJIKVNOERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-18-10(16)6-7(12)8(11(17)19-2)21-9(6)13-3-5-14-4-20-15-5/h4,13H,3,12H2,1-2H3.
What are the key properties of dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate?
dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate has a molecular weight of 312.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 106412893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).