5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide

C10H8BrNO4S — CID 117190266

IUPAC5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide
SMILESCOc1cccc(OC2=NC=C(Br)S2(=O)=O)c1
InChIInChI=1S/C10H8BrNO4S/c1-15-7-3-2-4-8(5-7)16-10-12-6-9(11)17(10,13)14/h2-6H,1H3
InChIKeySGFNFNWQAOIMGD-UHFFFAOYSA-N
MW318.15 g/mol
LogP2.05
Rot. Bonds2

About 5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide

5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide (PubChem CID 117190266) has the molecular formula C10H8BrNO4S and a molecular weight of 318.15 g/mol. Its IUPAC name is 5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide
PubChem CID117190266
Molecular FormulaC10H8BrNO4S
Molecular Weight318.15 g/mol
Exact Mass316.94
IUPAC Name5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide
SMILESCOc1cccc(OC2=NC=C(Br)S2(=O)=O)c1
InChIInChI=1S/C10H8BrNO4S/c1-15-7-3-2-4-8(5-7)16-10-12-6-9(11)17(10,13)14/h2-6H,1H3
InChIKeySGFNFNWQAOIMGD-UHFFFAOYSA-N
XLogP2.05
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole
CID 117189479
4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole
CID 117188908
5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine
CID 107086798
5-chloro-2-(3-methoxyphenoxy)pyrimidine
CID 71402141

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide?
The IUPAC name of 5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide (CID 117190266) is 5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide is COc1cccc(OC2=NC=C(Br)S2(=O)=O)c1.
What is the InChIKey of 5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide?
The InChIKey is SGFNFNWQAOIMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO4S/c1-15-7-3-2-4-8(5-7)16-10-12-6-9(11)17(10,13)14/h2-6H,1H3.
What are the key properties of 5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide?
5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide has a molecular weight of 318.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117190266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).