ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate

C15H18N2O2S — CID 3674087

IUPACethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1cc(C)ccc1C
InChIInChI=1S/C15H18N2O2S/c1-5-19-15(18)13-11(4)17-20-14(13)16-12-8-9(2)6-7-10(12)3/h6-8,16H,5H2,1-4H3
InChIKeyJHQQRROHZNBVHF-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.99
Rot. Bonds4

About ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 3674087) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID3674087
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1cc(C)ccc1C
InChIInChI=1S/C15H18N2O2S/c1-5-19-15(18)13-11(4)17-20-14(13)16-12-8-9(2)6-7-10(12)3/h6-8,16H,5H2,1-4H3
InChIKeyJHQQRROHZNBVHF-UHFFFAOYSA-N
XLogP3.99
TPSA51.22 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate (CID 3674087) is ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1Nc1cc(C)ccc1C.
What is the InChIKey of ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is JHQQRROHZNBVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-5-19-15(18)13-11(4)17-20-14(13)16-12-8-9(2)6-7-10(12)3/h6-8,16H,5H2,1-4H3.
What are the key properties of ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 3674087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).