(2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

C14H10F3N3O2S — CID 139328649

IUPAC(2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCc1ncc(C(O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)s1
InChIInChI=1S/C14H10F3N3O2S/c1-7-18-6-10(23-7)11(21)8-2-4-9(5-3-8)12-19-13(22-20-12)14(15,16)17/h2-6,11,21H,1H3
InChIKeyXUIFHQPFIBCLMP-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.60
Rot. Bonds3

About (2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

(2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 139328649) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID139328649
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC Name(2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCc1ncc(C(O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)s1
InChIInChI=1S/C14H10F3N3O2S/c1-7-18-6-10(23-7)11(21)8-2-4-9(5-3-8)12-19-13(22-20-12)14(15,16)17/h2-6,11,21H,1H3
InChIKeyXUIFHQPFIBCLMP-UHFFFAOYSA-N
XLogP3.60
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Thiazol-4-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 132257121
3-[4-[(2-Methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139328650
3-[4-(1,3-Thiazol-5-ylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139328654
1,3-Thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328695
(5-Methylpyridin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
CID 146291116
(R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
CID 155220204
(S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
CID 155220212
(2-Methyl-1,3-thiazol-5-yl)methyl 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 86777434
[4-[5-(1,1-Difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1,3-thiazol-4-yl)methanol
CID 160013536
[4-[5-(1,1-Difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methyl-1,3-thiazol-5-yl)methanol
CID 160013537
(4-{5-[(2-Pyridinylthio)methyl]-1,2,4-oxadiazol-3-yl}phenyl)methanol
CID 29254740
1-Phenyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80478781

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 139328649) is (2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is Cc1ncc(C(O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is XUIFHQPFIBCLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c1-7-18-6-10(23-7)11(21)8-2-4-9(5-3-8)12-19-13(22-20-12)14(15,16)17/h2-6,11,21H,1H3.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
(2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 341.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 139328649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).