methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate

C10H16N2O4S — CID 103423455

IUPACmethyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
SMILESCOCCNc1sc(C(=O)OC)c(N)c1OC
InChIInChI=1S/C10H16N2O4S/c1-14-5-4-12-9-7(15-2)6(11)8(17-9)10(13)16-3/h12H,4-5,11H2,1-3H3
InChIKeyUUVCRLAMYNTUGY-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.18
Rot. Bonds6

About methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate

methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate (PubChem CID 103423455) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
PubChem CID103423455
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Namemethyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
SMILESCOCCNc1sc(C(=O)OC)c(N)c1OC
InChIInChI=1S/C10H16N2O4S/c1-14-5-4-12-9-7(15-2)6(11)8(17-9)10(13)16-3/h12H,4-5,11H2,1-3H3
InChIKeyUUVCRLAMYNTUGY-UHFFFAOYSA-N
XLogP1.18
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
CID 103506972
methyl 4-amino-2-(2-methoxyethylamino)-5-propanoylthiophene-3-carboxylate
CID 103423447
3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432214
3-amino-4-methoxy-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426999
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103423405
3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
CID 103432325
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425826
3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103427050
ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103423373
methyl 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508709

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate (CID 103423455) is methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate is COCCNc1sc(C(=O)OC)c(N)c1OC.
What is the InChIKey of methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate?
The InChIKey is UUVCRLAMYNTUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-14-5-4-12-9-7(15-2)6(11)8(17-9)10(13)16-3/h12H,4-5,11H2,1-3H3.
What are the key properties of methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate?
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate is sourced from PubChem (CID 103423455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).