5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole

C17H17F4NO2S — CID 66939511

IUPAC5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFCc1sc(-c2cccc(C(F)(F)F)c2)nc1COC1CCCCO1
InChIInChI=1S/C17H17F4NO2S/c18-9-14-13(10-24-15-6-1-2-7-23-15)22-16(25-14)11-4-3-5-12(8-11)17(19,20)21/h3-5,8,15H,1-2,6-7,9-10H2
InChIKeyPXSAVCNPNUDIFN-UHFFFAOYSA-N
MW375.39 g/mol
LogP5.34
Rot. Bonds5

About 5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole

5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 66939511) has the molecular formula C17H17F4NO2S and a molecular weight of 375.39 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID66939511
Molecular FormulaC17H17F4NO2S
Molecular Weight375.39 g/mol
Exact Mass375.09
IUPAC Name5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFCc1sc(-c2cccc(C(F)(F)F)c2)nc1COC1CCCCO1
InChIInChI=1S/C17H17F4NO2S/c18-9-14-13(10-24-15-6-1-2-7-23-15)22-16(25-14)11-4-3-5-12(8-11)17(19,20)21/h3-5,8,15H,1-2,6-7,9-10H2
InChIKeyPXSAVCNPNUDIFN-UHFFFAOYSA-N
XLogP5.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole (CID 66939511) is 5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole is FCc1sc(-c2cccc(C(F)(F)F)c2)nc1COC1CCCCO1.
What is the InChIKey of 5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is PXSAVCNPNUDIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4NO2S/c18-9-14-13(10-24-15-6-1-2-7-23-15)22-16(25-14)11-4-3-5-12(8-11)17(19,20)21/h3-5,8,15H,1-2,6-7,9-10H2.
What are the key properties of 5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 375.39 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 66939511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).