ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride

C10H14ClNO2S — CID 163326154

IUPACethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(C2CC2)csc1N.Cl
InChIInChI=1S/C10H13NO2S.ClH/c1-2-13-10(12)8-7(6-3-4-6)5-14-9(8)11;/h5-6H,2-4,11H2,1H3;1H
InChIKeyZHTQWJDKUGWXOT-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.81
Rot. Bonds3

About ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride

ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride (PubChem CID 163326154) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
PubChem CID163326154
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Nameethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(C2CC2)csc1N.Cl
InChIInChI=1S/C10H13NO2S.ClH/c1-2-13-10(12)8-7(6-3-4-6)5-14-9(8)11;/h5-6H,2-4,11H2,1H3;1H
InChIKeyZHTQWJDKUGWXOT-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate
CID 139391371
ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate
CID 174355593
methyl 2-amino-4-cyclopentylthiophene-3-carboxylate
CID 62633873
ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 19100735
ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate
CID 64593291
ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
CID 14142699
ethyl 2-amino-4-(3,4-dihydro-2H-chromen-3-yl)thiophene-3-carboxylate
CID 139391406
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate
CID 70892196
ethyl 4-cyclopropyl-2-[(2-pyrrolidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 8901519
ethyl 2-[(2-amino-2-methylbutanoyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 79792134
ethyl 2-(2-bromopropanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 114014241

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride (CID 163326154) is ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride is CCOC(=O)c1c(C2CC2)csc1N.Cl.
What is the InChIKey of ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride?
The InChIKey is ZHTQWJDKUGWXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S.ClH/c1-2-13-10(12)8-7(6-3-4-6)5-14-9(8)11;/h5-6H,2-4,11H2,1H3;1H.
What are the key properties of ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride?
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride is sourced from PubChem (CID 163326154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).