1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone

C12H20N2O2S — CID 82441470

IUPAC1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
SMILESCCN(CC)Cc1nc(COC)c(C(C)=O)s1
InChIInChI=1S/C12H20N2O2S/c1-5-14(6-2)7-11-13-10(8-16-4)12(17-11)9(3)15/h5-8H2,1-4H3
InChIKeyWKEHZEXAVZORAL-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.33
Rot. Bonds7

About 1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone

1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82441470) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82441470
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
SMILESCCN(CC)Cc1nc(COC)c(C(C)=O)s1
InChIInChI=1S/C12H20N2O2S/c1-5-14(6-2)7-11-13-10(8-16-4)12(17-11)9(3)15/h5-8H2,1-4H3
InChIKeyWKEHZEXAVZORAL-UHFFFAOYSA-N
XLogP2.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone (CID 82441470) is 1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone is CCN(CC)Cc1nc(COC)c(C(C)=O)s1.
What is the InChIKey of 1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is WKEHZEXAVZORAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-14(6-2)7-11-13-10(8-16-4)12(17-11)9(3)15/h5-8H2,1-4H3.
What are the key properties of 1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 256.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82441470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).