2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol

C9H14BrNOS — CID 116852136

IUPAC2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol
SMILESCC(C)(C)c1nc(Br)c(CCO)s1
InChIInChI=1S/C9H14BrNOS/c1-9(2,3)8-11-7(10)6(13-8)4-5-12/h12H,4-5H2,1-3H3
InChIKeyDZQOLJUKVFZGNA-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.74
Rot. Bonds2

About 2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol

2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol (PubChem CID 116852136) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol
PubChem CID116852136
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol
SMILESCC(C)(C)c1nc(Br)c(CCO)s1
InChIInChI=1S/C9H14BrNOS/c1-9(2,3)8-11-7(10)6(13-8)4-5-12/h12H,4-5H2,1-3H3
InChIKeyDZQOLJUKVFZGNA-UHFFFAOYSA-N
XLogP2.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol (CID 116852136) is 2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol is CC(C)(C)c1nc(Br)c(CCO)s1.
What is the InChIKey of 2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is DZQOLJUKVFZGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-9(2,3)8-11-7(10)6(13-8)4-5-12/h12H,4-5H2,1-3H3.
What are the key properties of 2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol?
2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 264.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 116852136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).