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

C12H13NO4S — CID 117186894

IUPAC2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide
SMILESCOc1ccccc1OCC1=NC(C)=CS1(=O)=O
InChIInChI=1S/C12H13NO4S/c1-9-8-18(14,15)12(13-9)7-17-11-6-4-3-5-10(11)16-2/h3-6,8H,7H2,1-2H3
InChIKeyTXVZNLKPERURKR-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.76
Rot. Bonds4

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

2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide (PubChem CID 117186894) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide
PubChem CID117186894
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide
SMILESCOc1ccccc1OCC1=NC(C)=CS1(=O)=O
InChIInChI=1S/C12H13NO4S/c1-9-8-18(14,15)12(13-9)7-17-11-6-4-3-5-10(11)16-2/h3-6,8H,7H2,1-2H3
InChIKeyTXVZNLKPERURKR-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

5-[(2-methoxyphenoxy)methyl]-1,3-thiazole 1,1-dioxide
CID 117192455
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
1-(chloromethoxy)-2-methoxybenzene
CID 12696124
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
3-[(2-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464422

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide (CID 117186894) is 2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide is COc1ccccc1OCC1=NC(C)=CS1(=O)=O.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide?
The InChIKey is TXVZNLKPERURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-9-8-18(14,15)12(13-9)7-17-11-6-4-3-5-10(11)16-2/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide?
2-[(2-methoxyphenoxy)methyl]-4-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 2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117186894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).