ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate

C11H10ClNO2S2 — CID 43438925

IUPACethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)s2)csc1N
InChIInChI=1S/C11H10ClNO2S2/c1-2-15-11(14)9-6(5-16-10(9)13)7-3-4-8(12)17-7/h3-5H,2,13H2,1H3
InChIKeyKQHFWNBUPUTUKQ-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.89
Rot. Bonds3

About ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate

ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate (PubChem CID 43438925) has the molecular formula C11H10ClNO2S2 and a molecular weight of 287.79 g/mol. Its IUPAC name is ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate
PubChem CID43438925
Molecular FormulaC11H10ClNO2S2
Molecular Weight287.79 g/mol
Exact Mass286.98
IUPAC Nameethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)s2)csc1N
InChIInChI=1S/C11H10ClNO2S2/c1-2-15-11(14)9-6(5-16-10(9)13)7-3-4-8(12)17-7/h3-5H,2,13H2,1H3
InChIKeyKQHFWNBUPUTUKQ-UHFFFAOYSA-N
XLogP3.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-amino-4-(4-bromo-2-chlorophenyl)thiophene-3-carboxylate
CID 82774232
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
ethyl 2-amino-4-(2,4-dichloro-5-fluorophenyl)thiophene-3-carboxylate
CID 63472275
ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
CID 14142699
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
ethyl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076033
diethyl 2,5-dichlorothiophene-3,4-dicarboxylate
CID 102280314
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate
CID 87591712

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate (CID 43438925) is ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)s2)csc1N.
What is the InChIKey of ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate?
The InChIKey is KQHFWNBUPUTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S2/c1-2-15-11(14)9-6(5-16-10(9)13)7-3-4-8(12)17-7/h3-5H,2,13H2,1H3.
What are the key properties of ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate?
ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate has a molecular weight of 287.79 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 43438925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).