N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C17H16F3N3O3S — CID 47932753

IUPACN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)11-2-1-3-14(6-11)26-10-13(24)8-21-15(25)7-12-9-23-4-5-27-16(23)22-12/h1-6,9,13,24H,7-8,10H2,(H,21,25)
InChIKeyLJZJBYLCESHSPH-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.51
Rot. Bonds7

About N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 47932753) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID47932753
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC NameN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)11-2-1-3-14(6-11)26-10-13(24)8-21-15(25)7-12-9-23-4-5-27-16(23)22-12/h1-6,9,13,24H,7-8,10H2,(H,21,25)
InChIKeyLJZJBYLCESHSPH-UHFFFAOYSA-N
XLogP2.51
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 51115677
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 40723170
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 99801130
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563811
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 96568619
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634
N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51097716

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 47932753) is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)NCC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is LJZJBYLCESHSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c18-17(19,20)11-2-1-3-14(6-11)26-10-13(24)8-21-15(25)7-12-9-23-4-5-27-16(23)22-12/h1-6,9,13,24H,7-8,10H2,(H,21,25).
What are the key properties of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 399.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 47932753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).