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

C5H4F3NOS — CID 23560688

IUPAC[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)3-2-11-4(1-10)9-3/h2,10H,1H2
InChIKeyVIGAFTQUOHZWIC-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.65
Rot. Bonds1

About [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol

[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (PubChem CID 23560688) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
PubChem CID23560688
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)3-2-11-4(1-10)9-3/h2,10H,1H2
InChIKeyVIGAFTQUOHZWIC-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

1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-ol
CID 15444827
(4-Methyl-1,3-thiazol-2-yl)methanol
CID 17750909
(2-Methyl-1,3-thiazol-4-yl)methanol
CID 10582809
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
CID 16322147
[2-(Trifluoromethyl)-1,3-thiazol-4-yl]methanol
CID 20079604
(4-Ethyl-1,3-thiazol-2-yl)methanol
CID 58767059
[2-(Difluoromethyl)-1,3-thiazol-4-yl]methanol
CID 89690005
4-(Hydroxymethyl)-1,3-thiazole-2-carbonitrile
CID 130056332
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol
CID 119082012
(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
CID 9267875
[2-(1,1-Difluoroethyl)-1,3-thiazol-4-yl]methanol
CID 117590630
(R)-1-(4-Methylthiazol-2-yl)ethanol
CID 92982433

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (CID 23560688) is [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is OCc1nc(C(F)(F)F)cs1.
What is the InChIKey of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is VIGAFTQUOHZWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c6-5(7,8)3-2-11-4(1-10)9-3/h2,10H,1H2.
What are the key properties of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
[4-(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 [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 23560688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).