N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C22H20F4N4OS — CID 16593333

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C22H20F4N4OS/c23-17-6-4-15(5-7-17)19-14-32-21(27-19)28-20(31)13-29-8-10-30(11-9-29)18-3-1-2-16(12-18)22(24,25)26/h1-7,12,14H,8-11,13H2,(H,27,28,31)
InChIKeyJYKNURHOKQPMLF-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.73
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 16593333) has the molecular formula C22H20F4N4OS and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID16593333
Molecular FormulaC22H20F4N4OS
Molecular Weight464.49 g/mol
Exact Mass464.13
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C22H20F4N4OS/c23-17-6-4-15(5-7-17)19-14-32-21(27-19)28-20(31)13-29-8-10-30(11-9-29)18-3-1-2-16(12-18)22(24,25)26/h1-7,12,14H,8-11,13H2,(H,27,28,31)
InChIKeyJYKNURHOKQPMLF-UHFFFAOYSA-N
XLogP4.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 16593333) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is JYKNURHOKQPMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4OS/c23-17-6-4-15(5-7-17)19-14-32-21(27-19)28-20(31)13-29-8-10-30(11-9-29)18-3-1-2-16(12-18)22(24,25)26/h1-7,12,14H,8-11,13H2,(H,27,28,31).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 464.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 16593333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).