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

C6H8BrNOS — CID 22714306

IUPAC2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)(O)c1ncc(Br)s1
InChIInChI=1S/C6H8BrNOS/c1-6(2,9)5-8-3-4(7)10-5/h3,9H,1-2H3
InChIKeyJTHVMHSSQOPBCP-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.13
Rot. Bonds1

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

2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 22714306) has the molecular formula C6H8BrNOS and a molecular weight of 222.11 g/mol. Its IUPAC name is 2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol
PubChem CID22714306
Molecular FormulaC6H8BrNOS
Molecular Weight222.11 g/mol
Exact Mass220.95
IUPAC Name2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)(O)c1ncc(Br)s1
InChIInChI=1S/C6H8BrNOS/c1-6(2,9)5-8-3-4(7)10-5/h3,9H,1-2H3
InChIKeyJTHVMHSSQOPBCP-UHFFFAOYSA-N
XLogP2.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiazol-2-yl-propan-2-ol
CID 12992807
5-Bromo-2-tert-butyl-1,3-thiazole
CID 22406970
1-(5-Bromo-1,3-thiazol-2-yl)ethan-1-ol
CID 66222830
1-(5-Bromothiazol-2-yl)cyclobutanol
CID 58456224
2-Thiazolemethanol, 5-bromo-alpha-(difluoromethyl)-
CID 58456326
2-(5-Bromothiazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 118184044
3-(5-Bromo-1,3-thiazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 179067452
2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-ol
CID 84764357
1-Bromo-1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 107140549
1-(5-Bromo-1,3-thiazol-2-yl)-2-fluoroethan-1-ol
CID 165655216
2-(1,3-Thiazol-2-yl)butan-2-ol
CID 17948261
5-Bromo-2-isopropylthiazole
CID 20696775

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol (CID 22714306) is 2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol is CC(C)(O)c1ncc(Br)s1.
What is the InChIKey of 2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is JTHVMHSSQOPBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNOS/c1-6(2,9)5-8-3-4(7)10-5/h3,9H,1-2H3.
What are the key properties of 2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol?
2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 222.11 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 22714306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).