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

C10H8BrNOS — CID 66520687

IUPAC4-bromo-5-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2scnc2Br)c1
InChIInChI=1S/C10H8BrNOS/c1-13-8-4-2-3-7(5-8)9-10(11)12-6-14-9/h2-6H,1H3
InChIKeyRKWSBROFSRURLK-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.58
Rot. Bonds2

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

4-bromo-5-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 66520687) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is 4-bromo-5-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-(3-methoxyphenyl)-1,3-thiazole
PubChem CID66520687
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name4-bromo-5-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2scnc2Br)c1
InChIInChI=1S/C10H8BrNOS/c1-13-8-4-2-3-7(5-8)9-10(11)12-6-14-9/h2-6H,1H3
InChIKeyRKWSBROFSRURLK-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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Related Compounds

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2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
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[2-(3-methoxyphenyl)thiophen-3-yl]boronic acid
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4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole
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5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-bromo-5-(3-methoxyphenyl)-1,3-thiazole (CID 66520687) is 4-bromo-5-(3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-(3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-5-(3-methoxyphenyl)-1,3-thiazole is COc1cccc(-c2scnc2Br)c1.
What is the InChIKey of 4-bromo-5-(3-methoxyphenyl)-1,3-thiazole?
The InChIKey is RKWSBROFSRURLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c1-13-8-4-2-3-7(5-8)9-10(11)12-6-14-9/h2-6H,1H3.
What are the key properties of 4-bromo-5-(3-methoxyphenyl)-1,3-thiazole?
4-bromo-5-(3-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 4-bromo-5-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 66520687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).