dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate

C12H16N2O4S — CID 103526057

IUPACdimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC2CC2C)c(C(=O)OC)c1N
InChIInChI=1S/C12H16N2O4S/c1-5-4-6(5)14-10-7(11(15)17-2)8(13)9(19-10)12(16)18-3/h5-6,14H,4,13H2,1-3H3
InChIKeyTVDFFVMTRJBKET-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.72
Rot. Bonds4

About dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate

dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate (PubChem CID 103526057) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
PubChem CID103526057
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Namedimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC2CC2C)c(C(=O)OC)c1N
InChIInChI=1S/C12H16N2O4S/c1-5-4-6(5)14-10-7(11(15)17-2)8(13)9(19-10)12(16)18-3/h5-6,14H,4,13H2,1-3H3
InChIKeyTVDFFVMTRJBKET-UHFFFAOYSA-N
XLogP1.72
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
CID 103423919
ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate
CID 103526093
3-amino-2-N-cyclopropyl-4-N-methyl-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxamide
CID 103526075
methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate
CID 103426561
dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
CID 103427567
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526031
1-[3-amino-4-methoxy-5-[(2-methylcyclopropyl)amino]thiophen-2-yl]propan-1-one
CID 103526142
methyl 5-acetyl-4-amino-2-[(4-hydroxycyclohexyl)amino]thiophene-3-carboxylate
CID 103424711
3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526109
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424181
3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526086
methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate
CID 103424219

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate (CID 103526057) is dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate is COC(=O)c1sc(NC2CC2C)c(C(=O)OC)c1N.
What is the InChIKey of dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate?
The InChIKey is TVDFFVMTRJBKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-5-4-6(5)14-10-7(11(15)17-2)8(13)9(19-10)12(16)18-3/h5-6,14H,4,13H2,1-3H3.
What are the key properties of dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate?
dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate has a molecular weight of 284.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate is sourced from PubChem (CID 103526057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).