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

C17H18F3NO3S — CID 66938994

IUPAC[4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(-c2cccc(C(F)(F)F)c2)nc1COC1CCCCO1
InChIInChI=1S/C17H18F3NO3S/c18-17(19,20)12-5-3-4-11(8-12)16-21-13(14(9-22)25-16)10-24-15-6-1-2-7-23-15/h3-5,8,15,22H,1-2,6-7,9-10H2
InChIKeySUJKDKRPOBXQOK-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.36
Rot. Bonds5

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

[4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (PubChem CID 66938994) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is [4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
PubChem CID66938994
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC Name[4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(-c2cccc(C(F)(F)F)c2)nc1COC1CCCCO1
InChIInChI=1S/C17H18F3NO3S/c18-17(19,20)12-5-3-4-11(8-12)16-21-13(14(9-22)25-16)10-24-15-6-1-2-7-23-15/h3-5,8,15,22H,1-2,6-7,9-10H2
InChIKeySUJKDKRPOBXQOK-UHFFFAOYSA-N
XLogP4.36
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (CID 66938994) is [4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is OCc1sc(-c2cccc(C(F)(F)F)c2)nc1COC1CCCCO1.
What is the InChIKey of [4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is SUJKDKRPOBXQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c18-17(19,20)12-5-3-4-11(8-12)16-21-13(14(9-22)25-16)10-24-15-6-1-2-7-23-15/h3-5,8,15,22H,1-2,6-7,9-10H2.
What are the key properties of [4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
[4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 373.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-yloxymethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 66938994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).