1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone

C22H20F4N4OS — CID 30940520

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
SMILESO=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H20F4N4OS/c23-16-4-6-19(7-5-16)29-8-10-30(11-9-29)20(31)13-18-14-32-21(28-18)27-17-3-1-2-15(12-17)22(24,25)26/h1-7,12,14H,8-11,13H2,(H,27,28)
InChIKeyUCPNQKGCCOJYPH-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.94
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone (PubChem CID 30940520) has the molecular formula C22H20F4N4OS and a molecular weight of 464.49 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
PubChem CID30940520
Molecular FormulaC22H20F4N4OS
Molecular Weight464.49 g/mol
Exact Mass464.13
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
SMILESO=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H20F4N4OS/c23-16-4-6-19(7-5-16)29-8-10-30(11-9-29)20(31)13-18-14-32-21(28-18)27-17-3-1-2-15(12-17)22(24,25)26/h1-7,12,14H,8-11,13H2,(H,27,28)
InChIKeyUCPNQKGCCOJYPH-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrrolidin-1-yl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 27377781
1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 27377791
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone
CID 30941122
1-(4-fluorophenyl)-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 41159439
N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160012
2-(2-anilino-1,3-thiazol-4-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 27377709
4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41160059
N-methyl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30859922
N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27548713
4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41160062
1-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 41159437
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 30941964

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone (CID 30940520) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone is O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone?
The InChIKey is UCPNQKGCCOJYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4OS/c23-16-4-6-19(7-5-16)29-8-10-30(11-9-29)20(31)13-18-14-32-21(28-18)27-17-3-1-2-15(12-17)22(24,25)26/h1-7,12,14H,8-11,13H2,(H,27,28).
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone has a molecular weight of 464.49 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 30940520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).