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

C13H14ClNO2S — CID 170911124

IUPACethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(-c2ccccc2)csc1N.Cl
InChIInChI=1S/C13H13NO2S.ClH/c1-2-16-13(15)11-10(8-17-12(11)14)9-6-4-3-5-7-9;/h3-8H,2,14H2,1H3;1H
InChIKeyKRDLARYEABUFRA-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.60
Rot. Bonds3

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

ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride (PubChem CID 170911124) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
PubChem CID170911124
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Nameethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(-c2ccccc2)csc1N.Cl
InChIInChI=1S/C13H13NO2S.ClH/c1-2-16-13(15)11-10(8-17-12(11)14)9-6-4-3-5-7-9;/h3-8H,2,14H2,1H3;1H
InChIKeyKRDLARYEABUFRA-UHFFFAOYSA-N
XLogP3.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
ethyl 2-amino-4-phenylthiophene-3-carboxylate;ethyl 2-cyano-3-phenylbut-2-enoate
CID 158643545
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
CID 14142699
ethyl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076033
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
2-amino-N,N-diethyl-4-phenylthiophene-3-carboxamide
CID 82056870
ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate
CID 1049899
benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 71614908
ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate
CID 87591712
ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate
CID 19850799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride (CID 170911124) is ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride is CCOC(=O)c1c(-c2ccccc2)csc1N.Cl.
What is the InChIKey of ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride?
The InChIKey is KRDLARYEABUFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S.ClH/c1-2-16-13(15)11-10(8-17-12(11)14)9-6-4-3-5-7-9;/h3-8H,2,14H2,1H3;1H.
What are the key properties of ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride?
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride has a molecular weight of 283.78 g/mol, XLogP of 3.60, 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-phenylthiophene-3-carboxylate;hydrochloride is sourced from PubChem (CID 170911124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).