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

C16H20N2O2S — CID 116526687

IUPACethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)c2cc(C)cc(C)c2)sc1C
InChIInChI=1S/C16H20N2O2S/c1-6-20-15(19)14-12(4)21-16(17-14)18(5)13-8-10(2)7-11(3)9-13/h7-9H,6H2,1-5H3
InChIKeySKXSCCQHKVIMAN-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.01
Rot. Bonds4

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

ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 116526687) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate
PubChem CID116526687
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Nameethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)c2cc(C)cc(C)c2)sc1C
InChIInChI=1S/C16H20N2O2S/c1-6-20-15(19)14-12(4)21-16(17-14)18(5)13-8-10(2)7-11(3)9-13/h7-9H,6H2,1-5H3
InChIKeySKXSCCQHKVIMAN-UHFFFAOYSA-N
XLogP4.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-[methyl-(4-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526736
ethyl 5-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 116526729
ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 116527049
ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate
CID 116527071
ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526701
ethyl 2-[1-cyclopropylethyl(methyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526532
ethyl 2-(3-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526219
ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
CID 80574171
2-(N,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423841
ethyl 2-(3-bromo-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 58127634
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate (CID 116526687) is ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N(C)c2cc(C)cc(C)c2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is SKXSCCQHKVIMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-6-20-15(19)14-12(4)21-16(17-14)18(5)13-8-10(2)7-11(3)9-13/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 304.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).