ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate

C15H25N3O2S — CID 80574132

IUPACethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)C2CCN(CC)CC2)n1
InChIInChI=1S/C15H25N3O2S/c1-4-18-8-6-13(7-9-18)17(3)15-16-12(11-21-15)10-14(19)20-5-2/h11,13H,4-10H2,1-3H3
InChIKeyNKHVKVCVSNOJRG-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.17
Rot. Bonds6

About ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574132) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80574132
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)C2CCN(CC)CC2)n1
InChIInChI=1S/C15H25N3O2S/c1-4-18-8-6-13(7-9-18)17(3)15-16-12(11-21-15)10-14(19)20-5-2/h11,13H,4-10H2,1-3H3
InChIKeyNKHVKVCVSNOJRG-UHFFFAOYSA-N
XLogP2.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]propanoate
CID 107040183
ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
CID 80574171
ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 82745640
ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80575049
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574960
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate
CID 102998732
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 2-[2-[2-cyanoethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575673

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate (CID 80574132) is ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(C)C2CCN(CC)CC2)n1.
What is the InChIKey of ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is NKHVKVCVSNOJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-18-8-6-13(7-9-18)17(3)15-16-12(11-21-15)10-14(19)20-5-2/h11,13H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 311.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).