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

C5H4F3NO2S — CID 123340603

IUPAC[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol
SMILESOC(O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H4F3NO2S/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1,4,10-11H
InChIKeySAXCDNGWYMWWGJ-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.15
Rot. Bonds1

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

[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol (PubChem CID 123340603) has the molecular formula C5H4F3NO2S and a molecular weight of 199.15 g/mol. Its IUPAC name is [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol.

Molecular Properties

Compound Name[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol
PubChem CID123340603
Molecular FormulaC5H4F3NO2S
Molecular Weight199.15 g/mol
Exact Mass198.99
IUPAC Name[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol
SMILESOC(O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H4F3NO2S/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1,4,10-11H
InChIKeySAXCDNGWYMWWGJ-UHFFFAOYSA-N
XLogP1.15
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol?
The IUPAC name of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol (CID 123340603) is [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol.
What is the SMILES notation for [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol?
The canonical SMILES for [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol is OC(O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol?
The InChIKey is SAXCDNGWYMWWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2S/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1,4,10-11H.
What are the key properties of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol?
[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol has a molecular weight of 199.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-1,3-thiazol-2-yl]methanediol is sourced from PubChem (CID 123340603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).