1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone

C12H18N2O2S — CID 79665796

IUPAC1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C2CN(C(C)C)CCO2)s1
InChIInChI=1S/C12H18N2O2S/c1-8(2)14-4-5-16-10(7-14)12-13-6-11(17-12)9(3)15/h6,8,10H,4-5,7H2,1-3H3
InChIKeyFBZXOMNYMLBXBM-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.13
Rot. Bonds3

About 1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone

1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 79665796) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID79665796
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C2CN(C(C)C)CCO2)s1
InChIInChI=1S/C12H18N2O2S/c1-8(2)14-4-5-16-10(7-14)12-13-6-11(17-12)9(3)15/h6,8,10H,4-5,7H2,1-3H3
InChIKeyFBZXOMNYMLBXBM-UHFFFAOYSA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone (CID 79665796) is 1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(C2CN(C(C)C)CCO2)s1.
What is the InChIKey of 1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is FBZXOMNYMLBXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(2)14-4-5-16-10(7-14)12-13-6-11(17-12)9(3)15/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of 1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 254.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 79665796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).