2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol

C8H10F3NOS — CID 106782048

IUPAC2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCC(C)C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-4(2)6(13)5-3-12-7(14-5)8(9,10)11/h3-4,6,13H,1-2H3
InChIKeyWIOKLWFNHGBMBF-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.85
Rot. Bonds2

About 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol

2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 106782048) has the molecular formula C8H10F3NOS and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID106782048
Molecular FormulaC8H10F3NOS
Molecular Weight225.24 g/mol
Exact Mass225.04
IUPAC Name2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCC(C)C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-4(2)6(13)5-3-12-7(14-5)8(9,10)11/h3-4,6,13H,1-2H3
InChIKeyWIOKLWFNHGBMBF-UHFFFAOYSA-N
XLogP2.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 106782048) is 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is CC(C)C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is WIOKLWFNHGBMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-4(2)6(13)5-3-12-7(14-5)8(9,10)11/h3-4,6,13H,1-2H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 225.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 106782048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).