3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide

C11H18N4O3S — CID 103506465

IUPAC3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide
SMILESCC(C)OCCNc1sc(C(N)=O)c(N)c1C(N)=O
InChIInChI=1S/C11H18N4O3S/c1-5(2)18-4-3-15-11-6(9(13)16)7(12)8(19-11)10(14)17/h5,15H,3-4,12H2,1-2H3,(H2,13,16)(H2,14,17)
InChIKeyGGGKSBRSORTXKD-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.37
Rot. Bonds7

About 3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide

3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide (PubChem CID 103506465) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide
PubChem CID103506465
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide
SMILESCC(C)OCCNc1sc(C(N)=O)c(N)c1C(N)=O
InChIInChI=1S/C11H18N4O3S/c1-5(2)18-4-3-15-11-6(9(13)16)7(12)8(19-11)10(14)17/h5,15H,3-4,12H2,1-2H3,(H2,13,16)(H2,14,17)
InChIKeyGGGKSBRSORTXKD-UHFFFAOYSA-N
XLogP0.37
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide
CID 103506398
3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506464
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
ethyl 4-amino-5-carbamoyl-2-(4-methylpentylamino)thiophene-3-carboxylate
CID 103506996
ethyl 3-amino-4-methylsulfanyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxylate
CID 103506442
ethyl 3-amino-5-(butylamino)-4-carbamoylthiophene-2-carboxylate
CID 103425254
methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate
CID 103424350
3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103427050
3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506429
methyl 3-amino-4-carbamoyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420099
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103420117

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide (CID 103506465) is 3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide is CC(C)OCCNc1sc(C(N)=O)c(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide?
The InChIKey is GGGKSBRSORTXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-5(2)18-4-3-15-11-6(9(13)16)7(12)8(19-11)10(14)17/h5,15H,3-4,12H2,1-2H3,(H2,13,16)(H2,14,17).
What are the key properties of 3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide?
3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide has a molecular weight of 286.36 g/mol, XLogP of 0.37, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103506465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).