ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate

C9H14N2O2S — CID 84750743

IUPACethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CCN)sc1N
InChIInChI=1S/C9H14N2O2S/c1-2-13-9(12)7-5-6(3-4-10)14-8(7)11/h5H,2-4,10-11H2,1H3
InChIKeyDQEAJZNSRZVVKM-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.01
Rot. Bonds4

About ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate

ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate (PubChem CID 84750743) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate
PubChem CID84750743
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CCN)sc1N
InChIInChI=1S/C9H14N2O2S/c1-2-13-9(12)7-5-6(3-4-10)14-8(7)11/h5H,2-4,10-11H2,1H3
InChIKeyDQEAJZNSRZVVKM-UHFFFAOYSA-N
XLogP1.01
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate
CID 118053540
diethyl 5-aminothiophene-2,4-dicarboxylate
CID 4082907
methyl 2-amino-5-octylthiophene-3-carboxylate
CID 72704993
ethyl 2-amino-5-nitrothiophene-3-carboxylate
CID 2737608
ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
CID 22257964
tert-butyl 2-amino-5-decylthiophene-3-carboxylate
CID 21030833
ethyl 2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxylate;ethyl 5-(2,2,2-trifluoroethyl)thiophene-3-carboxylate
CID 158851962
methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate
CID 118053542
2-amino-5-propylthiophene-3-carbohydrazide
CID 42583185
tert-butyl 2-amino-5-(3-phenylpropyl)thiophene-3-carboxylate
CID 21030874
2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide
CID 43367229
ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate (CID 84750743) is ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate is CCOC(=O)c1cc(CCN)sc1N.
What is the InChIKey of ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate?
The InChIKey is DQEAJZNSRZVVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-13-9(12)7-5-6(3-4-10)14-8(7)11/h5H,2-4,10-11H2,1H3.
What are the key properties of ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate?
ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate has a molecular weight of 214.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate is sourced from PubChem (CID 84750743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).