4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol

C9H11F3N2OS — CID 106781996

IUPAC4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol
SMILESOC1(c2cnc(C(F)(F)F)s2)CCNCC1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)7-14-5-6(16-7)8(15)1-3-13-4-2-8/h5,13,15H,1-4H2
InChIKeyYZXCLQROSGGWTF-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.73
Rot. Bonds1

About 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol

4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol (PubChem CID 106781996) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol
PubChem CID106781996
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol
SMILESOC1(c2cnc(C(F)(F)F)s2)CCNCC1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)7-14-5-6(16-7)8(15)1-3-13-4-2-8/h5,13,15H,1-4H2
InChIKeyYZXCLQROSGGWTF-UHFFFAOYSA-N
XLogP1.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Amino-1,3-thiazol-5-yl)piperidin-4-ol
CID 104053454
4-[2-(Azetidin-1-ylmethyl)-1,3-thiazol-5-yl]piperidin-4-ol
CID 100628500
1,1,1-Trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol
CID 58973043
1,1,1-Trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
CID 71052761
2-(2-Ethylsulfanyl-1,3-thiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 71168196
(2R)-1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103127
1,1,1-Trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103136
1,1,1-Trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103138
Ethane;1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
CID 145510803
Ethane;2-(2-ethyl-1,3-thiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 145510895
1-[2-(Fluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol
CID 84766425
1-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol
CID 84771797

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol (CID 106781996) is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol is OC1(c2cnc(C(F)(F)F)s2)CCNCC1.
What is the InChIKey of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol?
The InChIKey is YZXCLQROSGGWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)7-14-5-6(16-7)8(15)1-3-13-4-2-8/h5,13,15H,1-4H2.
What are the key properties of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol?
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol has a molecular weight of 252.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 106781996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).