ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate

C15H18N2O2S — CID 60965486

IUPACethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(N(C)C)cc2)csc1N
InChIInChI=1S/C15H18N2O2S/c1-4-19-15(18)13-12(9-20-14(13)16)10-5-7-11(8-6-10)17(2)3/h5-9H,4,16H2,1-3H3
InChIKeyYAZWNGDLKIJVLM-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.24
Rot. Bonds4

About ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate

ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate (PubChem CID 60965486) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate
PubChem CID60965486
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(N(C)C)cc2)csc1N
InChIInChI=1S/C15H18N2O2S/c1-4-19-15(18)13-12(9-20-14(13)16)10-5-7-11(8-6-10)17(2)3/h5-9H,4,16H2,1-3H3
InChIKeyYAZWNGDLKIJVLM-UHFFFAOYSA-N
XLogP3.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-phenylthiophene-3-carboxylate
CID 73242
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((phenylamino)thioxomethyl)amino)-, ethyl ester
CID 988666
Methyl 2-amino-4-phenylthiophene-3-carboxylate
CID 685886
Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
CID 674768
Methyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 712411
Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
CID 693902
Ethyl 2-amino-4-(4-aminophenyl)thiophene-3-carboxylate
CID 60001348
Thiophene-3-carboxylic acid, 2-(((ethylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester
CID 2375612
Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester
CID 3076847
4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester
CID 809896
Ethyl 2-amino-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate
CID 627637
Ethyl 2-amino-4-p-tolylthiophene-3-carboxylate
CID 705801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate (CID 60965486) is ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(N(C)C)cc2)csc1N.
What is the InChIKey of ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate?
The InChIKey is YAZWNGDLKIJVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-19-15(18)13-12(9-20-14(13)16)10-5-7-11(8-6-10)17(2)3/h5-9H,4,16H2,1-3H3.
What are the key properties of ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate?
ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylate is sourced from PubChem (CID 60965486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).