[(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone

C16H20N2O5S — CID 51360520

IUPAC[(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1[C@H](COCc2ccccc2)C=CS1(=O)=O
InChIInChI=1S/C16H20N2O5S/c19-16(17-7-9-22-10-8-17)18-15(6-11-24(18,20)21)13-23-12-14-4-2-1-3-5-14/h1-6,11,15H,7-10,12-13H2/t15-/m0/s1
InChIKeyUMUSGEQTXFCDGP-HNNXBMFYSA-N
MW352.41 g/mol
LogP1.18
Rot. Bonds4

About [(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone

[(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone (PubChem CID 51360520) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is [(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone
PubChem CID51360520
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name[(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1[C@H](COCc2ccccc2)C=CS1(=O)=O
InChIInChI=1S/C16H20N2O5S/c19-16(17-7-9-22-10-8-17)18-15(6-11-24(18,20)21)13-23-12-14-4-2-1-3-5-14/h1-6,11,15H,7-10,12-13H2/t15-/m0/s1
InChIKeyUMUSGEQTXFCDGP-HNNXBMFYSA-N
XLogP1.18
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone (CID 51360520) is [(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1[C@H](COCc2ccccc2)C=CS1(=O)=O.
What is the InChIKey of [(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is UMUSGEQTXFCDGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c19-16(17-7-9-22-10-8-17)18-15(6-11-24(18,20)21)13-23-12-14-4-2-1-3-5-14/h1-6,11,15H,7-10,12-13H2/t15-/m0/s1.
What are the key properties of [(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone?
[(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 352.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51360520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).