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

C6H5BrF3NOS — CID 118184044

IUPAC2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ncc(Br)s1)C(F)(F)F
InChIInChI=1S/C6H5BrF3NOS/c1-5(12,6(8,9)10)4-11-2-3(7)13-4/h2,12H,1H3
InChIKeyAMCFZCPFIMPTKZ-UHFFFAOYSA-N
MW276.08 g/mol
LogP2.68
Rot. Bonds1

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

2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 118184044) has the molecular formula C6H5BrF3NOS and a molecular weight of 276.08 g/mol. Its IUPAC name is 2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID118184044
Molecular FormulaC6H5BrF3NOS
Molecular Weight276.08 g/mol
Exact Mass274.92
IUPAC Name2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ncc(Br)s1)C(F)(F)F
InChIInChI=1S/C6H5BrF3NOS/c1-5(12,6(8,9)10)4-11-2-3(7)13-4/h2,12H,1H3
InChIKeyAMCFZCPFIMPTKZ-UHFFFAOYSA-N
XLogP2.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 12992808
1-(5-Bromo-1,3-thiazol-2-yl)ethan-1-ol
CID 66222830
2-Thiazolemethanol, alpha-methyl-alpha-(trifluoromethyl)-
CID 12992809
2-Thiazolemethanol, 5-bromo-alpha-(difluoromethyl)-
CID 58456326
1,1,1-Trifluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 83384875
5-Bromo-2-(1,1-difluoroethyl)-1,3-thiazole
CID 84792021
1,1,1,3,3,3-Hexafluoro-2-(5-methyl-2-thiazolyl)-2-propanol
CID 87069363
Ethane;1,1,1-trifluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 145684918
3-(5-Bromo-1,3-thiazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 179067452
1,1-Difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 80605598
2-(1,1-Difluoroethyl)-1,3-thiazol-5-ol
CID 84764875
5-Bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
CID 84789579

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol (CID 118184044) is 2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol is CC(O)(c1ncc(Br)s1)C(F)(F)F.
What is the InChIKey of 2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is AMCFZCPFIMPTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3NOS/c1-5(12,6(8,9)10)4-11-2-3(7)13-4/h2,12H,1H3.
What are the key properties of 2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol?
2-(5-bromo-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 276.08 g/mol, XLogP of 2.68, 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)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 118184044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).