4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide

C12H13NO4S — CID 117191202

IUPAC4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide
SMILESCOc1ccc(OCC2=CS(=O)(=O)C(C)=N2)cc1
InChIInChI=1S/C12H13NO4S/c1-9-13-10(8-18(9,14)15)7-17-12-5-3-11(16-2)4-6-12/h3-6,8H,7H2,1-2H3
InChIKeyQDPXJRAHAWUOJO-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.76
Rot. Bonds4

About 4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide

4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide (PubChem CID 117191202) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide
PubChem CID117191202
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide
SMILESCOc1ccc(OCC2=CS(=O)(=O)C(C)=N2)cc1
InChIInChI=1S/C12H13NO4S/c1-9-13-10(8-18(9,14)15)7-17-12-5-3-11(16-2)4-6-12/h3-6,8H,7H2,1-2H3
InChIKeyQDPXJRAHAWUOJO-UHFFFAOYSA-N
XLogP1.76
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyl-1,1-dioxo-1,3-thiazol-4-yl)methoxy]phenol
CID 117191155
4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine
CID 117191181
3-[(4-methoxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117177894
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine
CID 143853300
2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
CID 117221925
4-[(4-methoxyphenoxy)methyl]-1,2-dimethylimidazole
CID 117191574
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
6-methoxy-2-methylquinazoline
CID 54578216
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid
CID 117214385
(4-methoxyphenoxy)methanol
CID 20580272

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide?
The IUPAC name of 4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide (CID 117191202) is 4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide is COc1ccc(OCC2=CS(=O)(=O)C(C)=N2)cc1.
What is the InChIKey of 4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide?
The InChIKey is QDPXJRAHAWUOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-9-13-10(8-18(9,14)15)7-17-12-5-3-11(16-2)4-6-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide?
4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide has a molecular weight of 267.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenoxy)methyl]-2-methyl-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117191202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).