ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate

C14H16N2O2S — CID 113221139

IUPACethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cccc(CC)c2)n1
InChIInChI=1S/C14H16N2O2S/c1-3-10-6-5-7-11(8-10)15-14-16-12(9-19-14)13(17)18-4-2/h5-9H,3-4H2,1-2H3,(H,15,16)
InChIKeyMKAYWSPYPGEMQT-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.63
Rot. Bonds5

About ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate

ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 113221139) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
PubChem CID113221139
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cccc(CC)c2)n1
InChIInChI=1S/C14H16N2O2S/c1-3-10-6-5-7-11(8-10)15-14-16-12(9-19-14)13(17)18-4-2/h5-9H,3-4H2,1-2H3,(H,15,16)
InChIKeyMKAYWSPYPGEMQT-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
CID 80568988
ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate
CID 115379577
ethyl 2-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
ethyl 2-(3,4-dicyanoanilino)-1,3-thiazole-4-carboxylate
CID 107794704
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
ethyl 2-[5-(3-iodoanilino)-2-methylanilino]-1,3-thiazole-4-carboxylate
CID 174489557
methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate
CID 115423970
ethyl 2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 82861980
N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide
CID 50830718
ethyl 2-(2,6-dibromo-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 80567895

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate (CID 113221139) is ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2cccc(CC)c2)n1.
What is the InChIKey of ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is MKAYWSPYPGEMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-10-6-5-7-11(8-10)15-14-16-12(9-19-14)13(17)18-4-2/h5-9H,3-4H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113221139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).