[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol

C14H16BrNOS — CID 131867651

IUPAC[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)c1ccc(-c2nc(Br)sc2CO)cc1
InChIInChI=1S/C14H16BrNOS/c1-14(2,3)10-6-4-9(5-7-10)12-11(8-17)18-13(15)16-12/h4-7,17H,8H2,1-3H3
InChIKeyJXSZVTFXAHOWES-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.36
Rot. Bonds2

About [2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol

[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 131867651) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is [2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID131867651
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)c1ccc(-c2nc(Br)sc2CO)cc1
InChIInChI=1S/C14H16BrNOS/c1-14(2,3)10-6-4-9(5-7-10)12-11(8-17)18-13(15)16-12/h4-7,17H,8H2,1-3H3
InChIKeyJXSZVTFXAHOWES-UHFFFAOYSA-N
XLogP4.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol (CID 131867651) is [2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol is CC(C)(C)c1ccc(-c2nc(Br)sc2CO)cc1.
What is the InChIKey of [2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is JXSZVTFXAHOWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-14(2,3)10-6-4-9(5-7-10)12-11(8-17)18-13(15)16-12/h4-7,17H,8H2,1-3H3.
What are the key properties of [2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol?
[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 326.26 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131867651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).