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

C4H4BrNOS — CID 11953783

IUPAC(5-bromo-1,3-thiazol-2-yl)methanol
SMILESOCc1ncc(Br)s1
InChIInChI=1S/C4H4BrNOS/c5-3-1-6-4(2-7)8-3/h1,7H,2H2
InChIKeyFZLWVPQHBVSVHP-UHFFFAOYSA-N
MW194.05 g/mol
LogP1.40
Rot. Bonds1

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

(5-bromo-1,3-thiazol-2-yl)methanol (PubChem CID 11953783) has the molecular formula C4H4BrNOS and a molecular weight of 194.05 g/mol. Its IUPAC name is (5-bromo-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-1,3-thiazol-2-yl)methanol
PubChem CID11953783
Molecular FormulaC4H4BrNOS
Molecular Weight194.05 g/mol
Exact Mass192.92
IUPAC Name(5-bromo-1,3-thiazol-2-yl)methanol
SMILESOCc1ncc(Br)s1
InChIInChI=1S/C4H4BrNOS/c5-3-1-6-4(2-7)8-3/h1,7H,2H2
InChIKeyFZLWVPQHBVSVHP-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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Related Compounds

1,3-Thiazol-2-ylmethanol
CID 2795213
1-(5-Bromo-1,3-thiazol-2-yl)ethan-1-ol
CID 66222830
2-(5-Bromo-1,3-thiazol-2-yl)ethan-1-ol
CID 83688030
(5-Iodo-1,3-thiazol-2-yl)methanol
CID 66224116
2-Thiazolemethanol, 5-bromo-alpha-(difluoromethyl)-
CID 58456326
(5-Fluoro-1,3-thiazol-2-yl)methanol
CID 123370875
5-Bromo-2-(difluoromethoxymethyl)-1,3-thiazole
CID 154635788
1-(5-Bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 130132164
5-Bromo-1,3-thiazole;2,2-difluoroethanol
CID 157523359
1-(5-Bromo-1,3-thiazol-2-yl)-2-fluoroethan-1-ol
CID 165655216
(1S)-1-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 165677996
(1R)-1-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 165681086

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,3-thiazol-2-yl)methanol?
The IUPAC name of (5-bromo-1,3-thiazol-2-yl)methanol (CID 11953783) is (5-bromo-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (5-bromo-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (5-bromo-1,3-thiazol-2-yl)methanol is OCc1ncc(Br)s1.
What is the InChIKey of (5-bromo-1,3-thiazol-2-yl)methanol?
The InChIKey is FZLWVPQHBVSVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNOS/c5-3-1-6-4(2-7)8-3/h1,7H,2H2.
What are the key properties of (5-bromo-1,3-thiazol-2-yl)methanol?
(5-bromo-1,3-thiazol-2-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 (5-bromo-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 11953783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).