2-bromo-5-(4-methoxyphenyl)-1,3-thiazole

C10H8BrNOS — CID 45142089

IUPAC2-bromo-5-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2cnc(Br)s2)cc1
InChIInChI=1S/C10H8BrNOS/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3
InChIKeyYHGANOPGYRLLBV-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.58
Rot. Bonds2

About 2-bromo-5-(4-methoxyphenyl)-1,3-thiazole

2-bromo-5-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 45142089) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is 2-bromo-5-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(4-methoxyphenyl)-1,3-thiazole
PubChem CID45142089
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name2-bromo-5-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2cnc(Br)s2)cc1
InChIInChI=1S/C10H8BrNOS/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3
InChIKeyYHGANOPGYRLLBV-UHFFFAOYSA-N
XLogP3.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-(4-methoxyphenyl)-1,3-thiazole (CID 45142089) is 2-bromo-5-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2cnc(Br)s2)cc1.
What is the InChIKey of 2-bromo-5-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is YHGANOPGYRLLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3.
What are the key properties of 2-bromo-5-(4-methoxyphenyl)-1,3-thiazole?
2-bromo-5-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 270.15 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 45142089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).