(2-bromo-1,3-thiazol-5-yl)methanol

C4H4BrNOS — CID 7213124

IUPAC(2-bromo-1,3-thiazol-5-yl)methanol
SMILESOCc1cnc(Br)s1
InChIInChI=1S/C4H4BrNOS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2
InChIKeyDWNJWSPPORNJGV-UHFFFAOYSA-N
MW194.05 g/mol
LogP1.40
Rot. Bonds1

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

(2-bromo-1,3-thiazol-5-yl)methanol (PubChem CID 7213124) has the molecular formula C4H4BrNOS and a molecular weight of 194.05 g/mol. Its IUPAC name is (2-bromo-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-1,3-thiazol-5-yl)methanol
PubChem CID7213124
Molecular FormulaC4H4BrNOS
Molecular Weight194.05 g/mol
Exact Mass192.92
IUPAC Name(2-bromo-1,3-thiazol-5-yl)methanol
SMILESOCc1cnc(Br)s1
InChIInChI=1S/C4H4BrNOS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2
InChIKeyDWNJWSPPORNJGV-UHFFFAOYSA-N
XLogP1.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-bromo-1,3-thiazol-5-yl)methanol (CID 7213124) is (2-bromo-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-bromo-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-bromo-1,3-thiazol-5-yl)methanol is OCc1cnc(Br)s1.
What is the InChIKey of (2-bromo-1,3-thiazol-5-yl)methanol?
The InChIKey is DWNJWSPPORNJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNOS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2.
What are the key properties of (2-bromo-1,3-thiazol-5-yl)methanol?
(2-bromo-1,3-thiazol-5-yl)methanol has a molecular weight of 194.05 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 7213124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).