2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol

C10H8BrNOS — CID 15691765

IUPAC2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol
SMILESCc1sc(-c2ccc(Br)cc2)nc1O
InChIInChI=1S/C10H8BrNOS/c1-6-9(13)12-10(14-6)7-2-4-8(11)5-3-7/h2-5,13H,1H3
InChIKeyUTRIDHIHMMXCHX-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.59
Rot. Bonds1

About 2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol

2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol (PubChem CID 15691765) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol
PubChem CID15691765
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol
SMILESCc1sc(-c2ccc(Br)cc2)nc1O
InChIInChI=1S/C10H8BrNOS/c1-6-9(13)12-10(14-6)7-2-4-8(11)5-3-7/h2-5,13H,1H3
InChIKeyUTRIDHIHMMXCHX-UHFFFAOYSA-N
XLogP3.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol (CID 15691765) is 2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol is Cc1sc(-c2ccc(Br)cc2)nc1O.
What is the InChIKey of 2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol?
The InChIKey is UTRIDHIHMMXCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c1-6-9(13)12-10(14-6)7-2-4-8(11)5-3-7/h2-5,13H,1H3.
What are the key properties of 2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol?
2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol has a molecular weight of 270.15 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-methyl-1,3-thiazol-4-ol is sourced from PubChem (CID 15691765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).