2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide

C11H10ClNO3S — CID 117188100

IUPAC2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide
SMILESCC1=CN=C(COc2cccc(Cl)c2)S1(=O)=O
InChIInChI=1S/C11H10ClNO3S/c1-8-6-13-11(17(8,14)15)7-16-10-4-2-3-9(12)5-10/h2-6H,7H2,1H3
InChIKeyMWECSFDBTDKBDL-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.41
Rot. Bonds3

About 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide

2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide (PubChem CID 117188100) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide
PubChem CID117188100
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC Name2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide
SMILESCC1=CN=C(COc2cccc(Cl)c2)S1(=O)=O
InChIInChI=1S/C11H10ClNO3S/c1-8-6-13-11(17(8,14)15)7-16-10-4-2-3-9(12)5-10/h2-6H,7H2,1H3
InChIKeyMWECSFDBTDKBDL-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

1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
2-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1,3-thiazole-5-carboxylic acid
CID 117188113
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine
CID 117190258
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82304946
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729482
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
1-(bromomethoxy)-3-chlorobenzene
CID 22961199

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide (CID 117188100) is 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide is CC1=CN=C(COc2cccc(Cl)c2)S1(=O)=O.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide?
The InChIKey is MWECSFDBTDKBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-8-6-13-11(17(8,14)15)7-16-10-4-2-3-9(12)5-10/h2-6H,7H2,1H3.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide?
2-[(3-chlorophenoxy)methyl]-5-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-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117188100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).