ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate

C16H20N2O2S — CID 80574171

IUPACethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H20N2O2S/c1-5-20-15(19)9-13-10-21-16(17-13)18(4)14-7-11(2)6-12(3)8-14/h6-8,10H,5,9H2,1-4H3
InChIKeyZPHXDKFUUVJWGA-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.63
Rot. Bonds5

About ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 80574171) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
PubChem CID80574171
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Nameethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H20N2O2S/c1-5-20-15(19)9-13-10-21-16(17-13)18(4)14-7-11(2)6-12(3)8-14/h6-8,10H,5,9H2,1-4H3
InChIKeyZPHXDKFUUVJWGA-UHFFFAOYSA-N
XLogP3.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80575049
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574132
ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate
CID 102998732
ethyl 2-[2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576648
ethyl 2-[2-[2-cyanoethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575673
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066
ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 82745640
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574823
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(3-fluoro-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80576631

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate (CID 80574171) is ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(C)c2cc(C)cc(C)c2)n1.
What is the InChIKey of ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is ZPHXDKFUUVJWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-5-20-15(19)9-13-10-21-16(17-13)18(4)14-7-11(2)6-12(3)8-14/h6-8,10H,5,9H2,1-4H3.
What are the key properties of ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 304.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).