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

C12H11F3N2O3S — CID 173154641

IUPAC[4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(OCNc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H11F3N2O3S/c13-12(14,15)20-9-3-1-8(2-4-9)16-7-19-10-6-21-11(5-18)17-10/h1-4,6,16,18H,5,7H2
InChIKeyFAHYICJXOYWQJZ-UHFFFAOYSA-N
MW320.29 g/mol
LogP2.98
Rot. Bonds6

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

[4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol (PubChem CID 173154641) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is [4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol
PubChem CID173154641
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC Name[4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(OCNc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H11F3N2O3S/c13-12(14,15)20-9-3-1-8(2-4-9)16-7-19-10-6-21-11(5-18)17-10/h1-4,6,16,18H,5,7H2
InChIKeyFAHYICJXOYWQJZ-UHFFFAOYSA-N
XLogP2.98
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-[[4-(trifluoromethoxy)phenoxy]methoxy]-1,3-thiazol-2-yl]methanol
CID 173154341
[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578774
3-[[4-(trifluoromethoxy)anilino]methyl]thiophene-2-carboxylic acid
CID 103233372
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24524635
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid
CID 71780553
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 62070801
N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 79419517
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol (CID 173154641) is [4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol is OCc1nc(OCNc2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of [4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol?
The InChIKey is FAHYICJXOYWQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c13-12(14,15)20-9-3-1-8(2-4-9)16-7-19-10-6-21-11(5-18)17-10/h1-4,6,16,18H,5,7H2.
What are the key properties of [4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol?
[4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol has a molecular weight of 320.29 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(trifluoromethoxy)anilino]methoxy]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 173154641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).