4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole

C10H8BrNOS2 — CID 79399117

IUPAC4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole
SMILESCSc1ccccc1Oc1nc(Br)cs1
InChIInChI=1S/C10H8BrNOS2/c1-14-8-5-3-2-4-7(8)13-10-12-9(11)6-15-10/h2-6H,1H3
InChIKeyCWLOGDUPXGBXFT-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.42
Rot. Bonds3

About 4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole

4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole (PubChem CID 79399117) has the molecular formula C10H8BrNOS2 and a molecular weight of 302.22 g/mol. Its IUPAC name is 4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole
PubChem CID79399117
Molecular FormulaC10H8BrNOS2
Molecular Weight302.22 g/mol
Exact Mass300.92
IUPAC Name4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole
SMILESCSc1ccccc1Oc1nc(Br)cs1
InChIInChI=1S/C10H8BrNOS2/c1-14-8-5-3-2-4-7(8)13-10-12-9(11)6-15-10/h2-6H,1H3
InChIKeyCWLOGDUPXGBXFT-UHFFFAOYSA-N
XLogP4.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole (CID 79399117) is 4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole is CSc1ccccc1Oc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole?
The InChIKey is CWLOGDUPXGBXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS2/c1-14-8-5-3-2-4-7(8)13-10-12-9(11)6-15-10/h2-6H,1H3.
What are the key properties of 4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole?
4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole has a molecular weight of 302.22 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylsulfanylphenoxy)-1,3-thiazole is sourced from PubChem (CID 79399117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).