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

C9H13NO4S2 — CID 82440757

IUPAC1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(CS(C)(=O)=O)sc1C(C)=O
InChIInChI=1S/C9H13NO4S2/c1-6(11)9-7(4-14-2)10-8(15-9)5-16(3,12)13/h4-5H2,1-3H3
InChIKeyMORSRAAERAZEJS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.04
Rot. Bonds5

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

1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82440757) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82440757
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(CS(C)(=O)=O)sc1C(C)=O
InChIInChI=1S/C9H13NO4S2/c1-6(11)9-7(4-14-2)10-8(15-9)5-16(3,12)13/h4-5H2,1-3H3
InChIKeyMORSRAAERAZEJS-UHFFFAOYSA-N
XLogP1.04
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone (CID 82440757) is 1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone is COCc1nc(CS(C)(=O)=O)sc1C(C)=O.
What is the InChIKey of 1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is MORSRAAERAZEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-6(11)9-7(4-14-2)10-8(15-9)5-16(3,12)13/h4-5H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone?
1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82440757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).