[4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol

C12H10F3NO4S — CID 173154341

IUPAC[4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(OCOc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H10F3NO4S/c13-12(14,15)20-9-3-1-8(2-4-9)18-7-19-10-6-21-11(5-17)16-10/h1-4,6,17H,5,7H2
InChIKeyLAHZUDIBQYYSJG-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.95
Rot. Bonds6

About [4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol

[4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol (PubChem CID 173154341) has the molecular formula C12H10F3NO4S and a molecular weight of 321.28 g/mol. Its IUPAC name is [4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol
PubChem CID173154341
Molecular FormulaC12H10F3NO4S
Molecular Weight321.28 g/mol
Exact Mass321.03
IUPAC Name[4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(OCOc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H10F3NO4S/c13-12(14,15)20-9-3-1-8(2-4-9)18-7-19-10-6-21-11(5-17)16-10/h1-4,6,17H,5,7H2
InChIKeyLAHZUDIBQYYSJG-UHFFFAOYSA-N
XLogP2.95
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol
CID 173154641
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
N-[(3,5-difluorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120876
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24524635
1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine
CID 62646957
3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid
CID 103485252
[6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130088886
[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 67310384
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 22229305
[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 133089338
[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
CID 23205017

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol (CID 173154341) is [4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol is OCc1nc(OCOc2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of [4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol?
The InChIKey is LAHZUDIBQYYSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO4S/c13-12(14,15)20-9-3-1-8(2-4-9)18-7-19-10-6-21-11(5-17)16-10/h1-4,6,17H,5,7H2.
What are the key properties of [4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol?
[4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol has a molecular weight of 321.28 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 173154341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).