2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide

C11H11NO3S — CID 117192438

IUPAC2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide
SMILESCC1=NC=C(COc2ccccc2)S1(=O)=O
InChIInChI=1S/C11H11NO3S/c1-9-12-7-11(16(9,13)14)8-15-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyKRBPUGFKHDOVGD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide

2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide (PubChem CID 117192438) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide
PubChem CID117192438
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide
SMILESCC1=NC=C(COc2ccccc2)S1(=O)=O
InChIInChI=1S/C11H11NO3S/c1-9-12-7-11(16(9,13)14)8-15-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyKRBPUGFKHDOVGD-UHFFFAOYSA-N
XLogP1.75
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[1,1-dioxo-2-(phenoxymethyl)-1-benzothiophen-4-yl]methanamine
CID 117172475
5-methyl-2-(phenoxymethyl)pyridine
CID 123739450
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
5-methyl-2-(phenoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 80503554
5-hydroxy-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 71185914
5-methyl-3-(phenoxymethyl)-1-benzothiophene 1,1-dioxide
CID 117185025
6-methyl-3-(phenoxymethyl)-1-benzothiophene 1,1-dioxide
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2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole
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methyl 5-methyl-3-(phenoxymethyl)-1H-pyrazole-4-carboxylate
CID 2746179

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide?
The IUPAC name of 2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide (CID 117192438) is 2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide is CC1=NC=C(COc2ccccc2)S1(=O)=O.
What is the InChIKey of 2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide?
The InChIKey is KRBPUGFKHDOVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-9-12-7-11(16(9,13)14)8-15-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide?
2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide has a molecular weight of 237.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(phenoxymethyl)-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117192438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).