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

C10H6F3NO2S — CID 169215056

IUPAC4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
SMILESOc1ccc(-c2nc(C(F)(F)F)cs2)cc1O
InChIInChI=1S/C10H6F3NO2S/c11-10(12,13)8-4-17-9(14-8)5-1-2-6(15)7(16)3-5/h1-4,15-16H
InChIKeyRLWIOWOFONFPJH-UHFFFAOYSA-N
MW261.22 g/mol
LogP3.24
Rot. Bonds1

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

4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol (PubChem CID 169215056) has the molecular formula C10H6F3NO2S and a molecular weight of 261.22 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
PubChem CID169215056
Molecular FormulaC10H6F3NO2S
Molecular Weight261.22 g/mol
Exact Mass261.01
IUPAC Name4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
SMILESOc1ccc(-c2nc(C(F)(F)F)cs2)cc1O
InChIInChI=1S/C10H6F3NO2S/c11-10(12,13)8-4-17-9(14-8)5-1-2-6(15)7(16)3-5/h1-4,15-16H
InChIKeyRLWIOWOFONFPJH-UHFFFAOYSA-N
XLogP3.24
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(2-Amino-1,3-thiazol-4-yl)benzene-1,2-diol
CID 762762
3-[2-(3-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 25093377
4-(2-Methyl-1,3-thiazol-4-yl)phenol
CID 591743
4-[2-(3-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 25093376
4-[2-(4-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 135923569
4-(2-Phenyl-1,3-thiazol-4-yl)benzene-1,2-diol
CID 884367
4-(5-Fluoro-1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 135414366
Benzene-1,2-diol, 4-(2-guanidinothiazol-4-yl)-
CID 536278
4-(4-Methyl-1,3-thiazol-2-yl)phenol
CID 4962900
3-[2-(4-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 135899472
4-[2-(4-Hydroxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 787549
2-Methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol
CID 838952

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The IUPAC name of 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol (CID 169215056) is 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The canonical SMILES for 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol is Oc1ccc(-c2nc(C(F)(F)F)cs2)cc1O.
What is the InChIKey of 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The InChIKey is RLWIOWOFONFPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S/c11-10(12,13)8-4-17-9(14-8)5-1-2-6(15)7(16)3-5/h1-4,15-16H.
What are the key properties of 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol has a molecular weight of 261.22 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1,2-diol is sourced from PubChem (CID 169215056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).