5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol

C15H16F3NO2S — CID 160850769

IUPAC5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol
SMILESOCCCCCOc1ccccc1-c1csc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3NO2S/c16-15(17,18)14-19-12(10-22-14)11-6-2-3-7-13(11)21-9-5-1-4-8-20/h2-3,6-7,10,20H,1,4-5,8-9H2
InChIKeyWNHQTHXOIDBCQR-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.37
Rot. Bonds7

About 5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol

5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol (PubChem CID 160850769) has the molecular formula C15H16F3NO2S and a molecular weight of 331.36 g/mol. Its IUPAC name is 5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol
PubChem CID160850769
Molecular FormulaC15H16F3NO2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC Name5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol
SMILESOCCCCCOc1ccccc1-c1csc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3NO2S/c16-15(17,18)14-19-12(10-22-14)11-6-2-3-7-13(11)21-9-5-1-4-8-20/h2-3,6-7,10,20H,1,4-5,8-9H2
InChIKeyWNHQTHXOIDBCQR-UHFFFAOYSA-N
XLogP4.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]ethanol
CID 28857958
2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol
CID 160850768
4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 112700792
2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61338431
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine
CID 28857982
6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol
CID 104856727
4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 28857922
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
4-[[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967635

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol (CID 160850769) is 5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol is OCCCCCOc1ccccc1-c1csc(C(F)(F)F)n1.
What is the InChIKey of 5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol?
The InChIKey is WNHQTHXOIDBCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2S/c16-15(17,18)14-19-12(10-22-14)11-6-2-3-7-13(11)21-9-5-1-4-8-20/h2-3,6-7,10,20H,1,4-5,8-9H2.
What are the key properties of 5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol?
5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol has a molecular weight of 331.36 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol is sourced from PubChem (CID 160850769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).