1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol

C5H3BrF3NOS — CID 122432445

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol
SMILESOC(c1nc(Br)cs1)C(F)(F)F
InChIInChI=1S/C5H3BrF3NOS/c6-2-1-12-4(10-2)3(11)5(7,8)9/h1,3,11H
InChIKeyMGGTVYGOMCPTAB-UHFFFAOYSA-N
MW262.05 g/mol
LogP2.50
Rot. Bonds1

About 1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol

1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol (PubChem CID 122432445) has the molecular formula C5H3BrF3NOS and a molecular weight of 262.05 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol
PubChem CID122432445
Molecular FormulaC5H3BrF3NOS
Molecular Weight262.05 g/mol
Exact Mass260.91
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol
SMILESOC(c1nc(Br)cs1)C(F)(F)F
InChIInChI=1S/C5H3BrF3NOS/c6-2-1-12-4(10-2)3(11)5(7,8)9/h1,3,11H
InChIKeyMGGTVYGOMCPTAB-UHFFFAOYSA-N
XLogP2.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol (CID 122432445) is 1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol is OC(c1nc(Br)cs1)C(F)(F)F.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is MGGTVYGOMCPTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3NOS/c6-2-1-12-4(10-2)3(11)5(7,8)9/h1,3,11H.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol?
1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 262.05 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 122432445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).