ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate

C12H19N3O3S — CID 103421318

IUPACethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate
SMILESCCCN(C)c1sc(C(=O)OCC)c(N)c1C(N)=O
InChIInChI=1S/C12H19N3O3S/c1-4-6-15(3)11-7(10(14)16)8(13)9(19-11)12(17)18-5-2/h4-6,13H2,1-3H3,(H2,14,16)
InChIKeyMYYGCPMNCUDIBS-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.45
Rot. Bonds6

About ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate

ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate (PubChem CID 103421318) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate
PubChem CID103421318
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Nameethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate
SMILESCCCN(C)c1sc(C(=O)OCC)c(N)c1C(N)=O
InChIInChI=1S/C12H19N3O3S/c1-4-6-15(3)11-7(10(14)16)8(13)9(19-11)12(17)18-5-2/h4-6,13H2,1-3H3,(H2,14,16)
InChIKeyMYYGCPMNCUDIBS-UHFFFAOYSA-N
XLogP1.45
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-4-carbamoyl-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421055
ethyl 4-amino-2-[methyl(propyl)amino]-5-propanoylthiophene-3-carboxylate
CID 103421370
ethyl 4-amino-5-(ethylcarbamoyl)-2-[methyl(propyl)amino]thiophene-3-carboxylate
CID 103421293
4-O-ethyl 2-O-methyl 3-amino-5-[butyl(methyl)amino]thiophene-2,4-dicarboxylate
CID 103420391
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
ethyl 4-amino-5-carbamoyl-2-[methyl(2-methylpropyl)amino]thiophene-3-carboxylate
CID 103421193
3-amino-5-[ethyl(methyl)amino]-2-N-methylthiophene-2,4-dicarboxamide
CID 103420974
3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 103417765
ethyl 3-amino-5-[butyl(methyl)amino]-4-cyanothiophene-2-carboxylate
CID 103420407
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(methyl)amino]thiophene-3-carboxylate
CID 103509521
methyl 5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carboxylate
CID 103420356
ethyl 3-amino-5-(butylamino)-4-carbamoylthiophene-2-carboxylate
CID 103425254

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate (CID 103421318) is ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate is CCCN(C)c1sc(C(=O)OCC)c(N)c1C(N)=O.
What is the InChIKey of ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate?
The InChIKey is MYYGCPMNCUDIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-6-15(3)11-7(10(14)16)8(13)9(19-11)12(17)18-5-2/h4-6,13H2,1-3H3,(H2,14,16).
What are the key properties of ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate?
ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate has a molecular weight of 285.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 103421318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).