[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol

C5H4F3NOS — CID 86767892

IUPAC[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1ncc(C(F)(F)F)s1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)3-1-9-4(2-10)11-3/h1,10H,2H2
InChIKeyAJMIKMUFSHGHLA-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.65
Rot. Bonds1

About [5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol

[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (PubChem CID 86767892) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
PubChem CID86767892
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1ncc(C(F)(F)F)s1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)3-1-9-4(2-10)11-3/h1,10H,2H2
InChIKeyAJMIKMUFSHGHLA-UHFFFAOYSA-N
XLogP1.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha,5-Dimethyl-2-thiazolemethanol
CID 46785227
(2-(Trifluoromethyl)-1,3-thiazol-5-yl)methanol
CID 15171127
(5-Methyl-1,3-thiazol-2-yl)methanol
CID 18406887
[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanol
CID 165945081
(5-Ethyl-1,3-thiazol-2-yl)methanol
CID 62924313
[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]methanol
CID 155943682
2,5-Thiazoledimethanol
CID 10130026
2-Thiazolemethanol, 5-bromo-alpha-(difluoromethyl)-
CID 58456326
2-Methyl-5-(trifluoromethyl)thiazole
CID 59106723
5-(Difluoromethyl)-2-methyl-1,3-thiazole
CID 76529726
1,1,1-Trifluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 83384875
(5-(Difluoromethyl)thiazol-2-yl)methanol
CID 84652029

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (CID 86767892) is [5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is OCc1ncc(C(F)(F)F)s1.
What is the InChIKey of [5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is AJMIKMUFSHGHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c6-5(7,8)3-1-9-4(2-10)11-3/h1,10H,2H2.
What are the key properties of [5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 183.15 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 86767892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).