methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate

C12H17N3O3S — CID 103427604

IUPACmethyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(C)C2CC2)c(C(N)=O)c1N
InChIInChI=1S/C12H17N3O3S/c1-5(6-3-4-6)15-11-7(10(14)16)8(13)9(19-11)12(17)18-2/h5-6,15H,3-4,13H2,1-2H3,(H2,14,16)
InChIKeyGUWZOGRZDKOWDW-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.43
Rot. Bonds5

About methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate

methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate (PubChem CID 103427604) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
PubChem CID103427604
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Namemethyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(C)C2CC2)c(C(N)=O)c1N
InChIInChI=1S/C12H17N3O3S/c1-5(6-3-4-6)15-11-7(10(14)16)8(13)9(19-11)12(17)18-2/h5-6,15H,3-4,13H2,1-2H3,(H2,14,16)
InChIKeyGUWZOGRZDKOWDW-UHFFFAOYSA-N
XLogP1.43
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
CID 103427567
methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate
CID 103508521
methyl 5-acetyl-4-amino-2-(1-cyclopropylethylamino)thiophene-3-carboxylate
CID 103427566
3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103427603
methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425075
methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate
CID 103424219
methyl 5-acetyl-4-amino-2-(dicyclopropylmethylamino)thiophene-3-carboxylate
CID 103508542
3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103427551
ethyl 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427575
[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103427588
dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
CID 103423919
methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate
CID 103424350

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate (CID 103427604) is methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate is COC(=O)c1sc(NC(C)C2CC2)c(C(N)=O)c1N.
What is the InChIKey of methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate?
The InChIKey is GUWZOGRZDKOWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-5(6-3-4-6)15-11-7(10(14)16)8(13)9(19-11)12(17)18-2/h5-6,15H,3-4,13H2,1-2H3,(H2,14,16).
What are the key properties of methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate?
methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate is sourced from PubChem (CID 103427604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).