1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone

C21H19F3N4O2S — CID 42571560

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H19F3N4O2S/c22-21(23,24)30-16-6-4-15(5-7-16)20-26-14-17(31-20)13-19(29)28-11-9-27(10-12-28)18-3-1-2-8-25-18/h1-8,14H,9-13H2
InChIKeyMOGHDJGPNFGPHR-UHFFFAOYSA-N
MW448.47 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone

1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 42571560) has the molecular formula C21H19F3N4O2S and a molecular weight of 448.47 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
PubChem CID42571560
Molecular FormulaC21H19F3N4O2S
Molecular Weight448.47 g/mol
Exact Mass448.12
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H19F3N4O2S/c22-21(23,24)30-16-6-4-15(5-7-16)20-26-14-17(31-20)13-19(29)28-11-9-27(10-12-28)18-3-1-2-8-25-18/h1-8,14H,9-13H2
InChIKeyMOGHDJGPNFGPHR-UHFFFAOYSA-N
XLogP3.99
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
CID 42535196
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 55598245
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111092202
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 154891896
1-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 15981103
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 139547947
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2768197
4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid
CID 68595845

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone (CID 42571560) is 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone is O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is MOGHDJGPNFGPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2S/c22-21(23,24)30-16-6-4-15(5-7-16)20-26-14-17(31-20)13-19(29)28-11-9-27(10-12-28)18-3-1-2-8-25-18/h1-8,14H,9-13H2.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone?
1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 448.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 42571560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).