1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol

C6H8BrNOS — CID 91017589

IUPAC1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol
SMILESCCC(O)c1ncc(Br)s1
InChIInChI=1S/C6H8BrNOS/c1-2-4(9)6-8-3-5(7)10-6/h3-4,9H,2H2,1H3
InChIKeyCFXDGBDXJDBHTF-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.35
Rot. Bonds2

About 1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol

1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol (PubChem CID 91017589) has the molecular formula C6H8BrNOS and a molecular weight of 222.11 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol
PubChem CID91017589
Molecular FormulaC6H8BrNOS
Molecular Weight222.11 g/mol
Exact Mass220.95
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol
SMILESCCC(O)c1ncc(Br)s1
InChIInChI=1S/C6H8BrNOS/c1-2-4(9)6-8-3-5(7)10-6/h3-4,9H,2H2,1H3
InChIKeyCFXDGBDXJDBHTF-UHFFFAOYSA-N
XLogP2.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol (CID 91017589) is 1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol is CCC(O)c1ncc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is CFXDGBDXJDBHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNOS/c1-2-4(9)6-8-3-5(7)10-6/h3-4,9H,2H2,1H3.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol?
1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 222.11 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 91017589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).