ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate

C12H16N2O3S — CID 103424237

IUPACethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C12H16N2O3S/c1-3-17-12(16)7-8(13)10(18-11(7)14-2)9(15)6-4-5-6/h6,14H,3-5,13H2,1-2H3
InChIKeyXMHPOMJCNWDDGM-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.14
Rot. Bonds5

About ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate

ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate (PubChem CID 103424237) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate
PubChem CID103424237
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Nameethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C12H16N2O3S/c1-3-17-12(16)7-8(13)10(18-11(7)14-2)9(15)6-4-5-6/h6,14H,3-5,13H2,1-2H3
InChIKeyXMHPOMJCNWDDGM-UHFFFAOYSA-N
XLogP2.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
CID 103423694
4-O-ethyl 2-O-methyl 3-amino-5-(cyclopropylmethylamino)thiophene-2,4-dicarboxylate
CID 103424618
ethyl 4-amino-5-carbamoyl-2-(cyclopropylmethylamino)thiophene-3-carboxylate
CID 103424634
methyl 4-amino-5-(cyclopropanecarbonyl)-2-[2-(dimethylamino)ethylamino]thiophene-3-carboxylate
CID 103424345
[3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103424191
diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate
CID 101263964
ethyl 3-amino-5-(cyclopropylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103423708
4-O-ethyl 2-O-methyl 3-amino-5-(ethylamino)thiophene-2,4-dicarboxylate
CID 103424477
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424181
4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
CID 103423944
ethyl 4-amino-5-(cyclopropylcarbamoyl)-2-(propylamino)thiophene-3-carboxylate
CID 103423052
diethyl 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarboxylate
CID 103423559

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate (CID 103424237) is ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC)sc(C(=O)C2CC2)c1N.
What is the InChIKey of ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate?
The InChIKey is XMHPOMJCNWDDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-3-17-12(16)7-8(13)10(18-11(7)14-2)9(15)6-4-5-6/h6,14H,3-5,13H2,1-2H3.
What are the key properties of ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate?
ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate has a molecular weight of 268.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate is sourced from PubChem (CID 103424237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).