1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C12H18N2O2S — CID 70724854

IUPAC1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCC[C@H]1COCCN1C(=O)Cc1csc(C)n1
InChIInChI=1S/C12H18N2O2S/c1-3-11-7-16-5-4-14(11)12(15)6-10-8-17-9(2)13-10/h8,11H,3-7H2,1-2H3/t11-/m0/s1
InChIKeySSVDMYSFVUDDHP-NSHDSACASA-N
MW254.35 g/mol
LogP1.63
Rot. Bonds3

About 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 70724854) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID70724854
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCC[C@H]1COCCN1C(=O)Cc1csc(C)n1
InChIInChI=1S/C12H18N2O2S/c1-3-11-7-16-5-4-14(11)12(15)6-10-8-17-9(2)13-10/h8,11H,3-7H2,1-2H3/t11-/m0/s1
InChIKeySSVDMYSFVUDDHP-NSHDSACASA-N
XLogP1.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 70724854) is 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is CC[C@H]1COCCN1C(=O)Cc1csc(C)n1.
What is the InChIKey of 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is SSVDMYSFVUDDHP-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-11-7-16-5-4-14(11)12(15)6-10-8-17-9(2)13-10/h8,11H,3-7H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 254.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 70724854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).