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

C10H8BrNS — CID 57201412

IUPAC2-(4-bromo-2-methylphenyl)-1,3-thiazole
SMILESCc1cc(Br)ccc1-c1nccs1
InChIInChI=1S/C10H8BrNS/c1-7-6-8(11)2-3-9(7)10-12-4-5-13-10/h2-6H,1H3
InChIKeyXWOYRFQIUJCRNG-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.88
Rot. Bonds1

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

2-(4-bromo-2-methylphenyl)-1,3-thiazole (PubChem CID 57201412) has the molecular formula C10H8BrNS and a molecular weight of 254.15 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-1,3-thiazole
PubChem CID57201412
Molecular FormulaC10H8BrNS
Molecular Weight254.15 g/mol
Exact Mass252.96
IUPAC Name2-(4-bromo-2-methylphenyl)-1,3-thiazole
SMILESCc1cc(Br)ccc1-c1nccs1
InChIInChI=1S/C10H8BrNS/c1-7-6-8(11)2-3-9(7)10-12-4-5-13-10/h2-6H,1H3
InChIKeyXWOYRFQIUJCRNG-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-1,3-thiazole (CID 57201412) is 2-(4-bromo-2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-1,3-thiazole is Cc1cc(Br)ccc1-c1nccs1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-1,3-thiazole?
The InChIKey is XWOYRFQIUJCRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS/c1-7-6-8(11)2-3-9(7)10-12-4-5-13-10/h2-6H,1H3.
What are the key properties of 2-(4-bromo-2-methylphenyl)-1,3-thiazole?
2-(4-bromo-2-methylphenyl)-1,3-thiazole has a molecular weight of 254.15 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 57201412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).