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

C5H4F3NOS — CID 15171127

IUPAC[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)4-9-1-3(2-10)11-4/h1,10H,2H2
InChIKeyCJKBHQFTYWBAQP-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.65
Rot. Bonds1

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

[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 15171127) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is [2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID15171127
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)4-9-1-3(2-10)11-4/h1,10H,2H2
InChIKeyCJKBHQFTYWBAQP-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

5-Thiazolylmethanol
CID 2763216
(2-(Methoxymethyl)-1,3-thiazol-5-yl)methanol
CID 64980908
(2-Bromo-1,3-thiazol-5-yl)methanol
CID 7213124
(2-Isopropylthiazol-5-yl)methanol
CID 10820831
(2-Methyl-1,3-thiazol-5-yl)methanol
CID 12808792
(2-Ethyl-1,3-thiazol-5-yl)methanol
CID 21408258
2-Thiazolemethanol, 5-(trifluoromethyl)-
CID 86767892
[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanol
CID 165945081
5-(Hydroxymethyl)thiazole-2-carbaldehyde
CID 126719503
[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]methanol
CID 155943682
(1R)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165633553
(1S)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165639952

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 15171127) is [2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OCc1cnc(C(F)(F)F)s1.
What is the InChIKey of [2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is CJKBHQFTYWBAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c6-5(7,8)4-9-1-3(2-10)11-4/h1,10H,2H2.
What are the key properties of [2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
[2-(trifluoromethyl)-1,3-thiazol-5-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 [2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 15171127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).