3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol

C9H7F3N2OS — CID 154080182

IUPAC3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol
SMILESOC1=CN(c2cncc(C(F)(F)F)c2)CS1
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)6-1-7(3-13-2-6)14-4-8(15)16-5-14/h1-4,15H,5H2
InChIKeyGQWBRMFUKWTXFH-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.97
Rot. Bonds1

About 3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol

3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol (PubChem CID 154080182) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol
PubChem CID154080182
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Name3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol
SMILESOC1=CN(c2cncc(C(F)(F)F)c2)CS1
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)6-1-7(3-13-2-6)14-4-8(15)16-5-14/h1-4,15H,5H2
InChIKeyGQWBRMFUKWTXFH-UHFFFAOYSA-N
XLogP2.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol?
The IUPAC name of 3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol (CID 154080182) is 3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol.
What is the SMILES notation for 3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol?
The canonical SMILES for 3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol is OC1=CN(c2cncc(C(F)(F)F)c2)CS1.
What is the InChIKey of 3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol?
The InChIKey is GQWBRMFUKWTXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c10-9(11,12)6-1-7(3-13-2-6)14-4-8(15)16-5-14/h1-4,15H,5H2.
What are the key properties of 3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol?
3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol has a molecular weight of 248.23 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-3-pyridinyl]-2H-1,3-thiazol-5-ol is sourced from PubChem (CID 154080182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).