ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate

C11H15N3O3S — CID 103423694

IUPACethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC2CC2)sc(C(N)=O)c1N
InChIInChI=1S/C11H15N3O3S/c1-2-17-11(16)6-7(12)8(9(13)15)18-10(6)14-5-3-4-5/h5,14H,2-4,12H2,1H3,(H2,13,15)
InChIKeySPCXQUMAWNVBAR-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.18
Rot. Bonds5

About ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate

ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate (PubChem CID 103423694) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
PubChem CID103423694
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Nameethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC2CC2)sc(C(N)=O)c1N
InChIInChI=1S/C11H15N3O3S/c1-2-17-11(16)6-7(12)8(9(13)15)18-10(6)14-5-3-4-5/h5,14H,2-4,12H2,1H3,(H2,13,15)
InChIKeySPCXQUMAWNVBAR-UHFFFAOYSA-N
XLogP1.18
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-5-carbamoyl-2-(cyclopropylmethylamino)thiophene-3-carboxylate
CID 103424634
ethyl 3-amino-5-(cyclopropylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103423708
3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide
CID 103423923
ethyl 4-amino-5-carbamoyl-2-(3-methylbutan-2-ylamino)thiophene-3-carboxylate
CID 103426909
ethyl 4-amino-2-(butan-2-ylamino)-5-carbamoylthiophene-3-carboxylate
CID 103423556
ethyl 3-amino-4-carbamoyl-5-[(1-methylpyrrolidin-3-yl)amino]thiophene-2-carboxylate
CID 103508099
dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
CID 103423919
ethyl 4-amino-5-(cyclopropylcarbamoyl)-2-(propylamino)thiophene-3-carboxylate
CID 103423052
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
CID 103424714
ethyl 3-amino-4-carbamoyl-5-(cyclopropylmethylamino)thiophene-2-carboxylate
CID 103424622
4-O-ethyl 2-O-methyl 3-amino-5-(cyclopropylmethylamino)thiophene-2,4-dicarboxylate
CID 103424618
ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424237

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate (CID 103423694) is ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC2CC2)sc(C(N)=O)c1N.
What is the InChIKey of ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate?
The InChIKey is SPCXQUMAWNVBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-17-11(16)6-7(12)8(9(13)15)18-10(6)14-5-3-4-5/h5,14H,2-4,12H2,1H3,(H2,13,15).
What are the key properties of ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate?
ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate is sourced from PubChem (CID 103423694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).