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

C11H10ClNO3S — CID 117186886

IUPAC2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide
SMILESCC1=CS(=O)(=O)C(COc2ccccc2Cl)=N1
InChIInChI=1S/C11H10ClNO3S/c1-8-7-17(14,15)11(13-8)6-16-10-5-3-2-4-9(10)12/h2-5,7H,6H2,1H3
InChIKeyUBEABIQEJSTAMP-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.41
Rot. Bonds3

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

2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide (PubChem CID 117186886) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide
PubChem CID117186886
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC Name2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide
SMILESCC1=CS(=O)(=O)C(COc2ccccc2Cl)=N1
InChIInChI=1S/C11H10ClNO3S/c1-8-7-17(14,15)11(13-8)6-16-10-5-3-2-4-9(10)12/h2-5,7H,6H2,1H3
InChIKeyUBEABIQEJSTAMP-UHFFFAOYSA-N
XLogP2.41
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide
CID 117186894
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135419005
4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
CID 19621675
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine
CID 55044923
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647
2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid
CID 117187269
1-chloro-2-methoxybenzene
CID 13011
4-[(2-chlorophenoxy)methyl]-1-methylimidazole
CID 117191456
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide (CID 117186886) is 2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide is CC1=CS(=O)(=O)C(COc2ccccc2Cl)=N1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide?
The InChIKey is UBEABIQEJSTAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-8-7-17(14,15)11(13-8)6-16-10-5-3-2-4-9(10)12/h2-5,7H,6H2,1H3.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide?
2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide has a molecular weight of 271.72 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117186886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).