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

C8H6F3N3OS — CID 106782841

IUPAC1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1ncc[nH]1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)7-14-3-4(16-7)5(15)6-12-1-2-13-6/h1-3,5,15H,(H,12,13)
InChIKeyLEMFDPTZGAOQCS-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.97
Rot. Bonds2

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

1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782841) has the molecular formula C8H6F3N3OS and a molecular weight of 249.22 g/mol. Its IUPAC name is 1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782841
Molecular FormulaC8H6F3N3OS
Molecular Weight249.22 g/mol
Exact Mass249.02
IUPAC Name1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1ncc[nH]1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)7-14-3-4(16-7)5(15)6-12-1-2-13-6/h1-3,5,15H,(H,12,13)
InChIKeyLEMFDPTZGAOQCS-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazol-5-yl]methanol
CID 169086364
(1-Methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782856
1-Ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine
CID 111535482
(5-Chloro-1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 114239448
1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol
CID 175852898
[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol
CID 63108323
1-[2-(1H-imidazol-2-yl)-1,3-thiazol-5-yl]ethanol
CID 80293836
[2-(1H-imidazol-2-yl)-1,3-thiazol-5-yl]methanol
CID 80300449
(1-Ethylimidazol-2-yl)-(1,3-thiazol-5-yl)methanol
CID 80477127
(1-Propylimidazol-2-yl)-(1,3-thiazol-5-yl)methanol
CID 80477268
(1-Methylimidazol-2-yl)-(1,3-thiazol-5-yl)methanol
CID 80477269
1-[2-(1-Methylimidazol-2-yl)-1,3-thiazol-5-yl]ethanol
CID 81681943

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of 1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782841) is 1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for 1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for 1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1ncc[nH]1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is LEMFDPTZGAOQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3OS/c9-8(10,11)7-14-3-4(16-7)5(15)6-12-1-2-13-6/h1-3,5,15H,(H,12,13).
What are the key properties of 1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 249.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).