[4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H20F3N5OS — CID 150578380

IUPAC[4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(CC2=CC=CCN2c2ncns2)CC1
InChIInChI=1S/C20H20F3N5OS/c21-20(22,23)16-5-3-4-15(12-16)18(29)27-10-8-26(9-11-27)13-17-6-1-2-7-28(17)19-24-14-25-30-19/h1-6,12,14H,7-11,13H2
InChIKeyINHOVQAEDAMMEJ-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.28
Rot. Bonds4

About [4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 150578380) has the molecular formula C20H20F3N5OS and a molecular weight of 435.48 g/mol. Its IUPAC name is [4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID150578380
Molecular FormulaC20H20F3N5OS
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC Name[4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(CC2=CC=CCN2c2ncns2)CC1
InChIInChI=1S/C20H20F3N5OS/c21-20(22,23)16-5-3-4-15(12-16)18(29)27-10-8-26(9-11-27)13-17-6-1-2-7-28(17)19-24-14-25-30-19/h1-6,12,14H,7-11,13H2
InChIKeyINHOVQAEDAMMEJ-UHFFFAOYSA-N
XLogP3.28
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 120902661
3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
CID 86993504
[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 71780646
(4-aminophenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119720545
[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30857653
(3-bromophenyl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329650
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 90571422
[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 47524815
2-[4-[[1-(5-chloro-1,3-thiazol-2-yl)-2H-pyridin-6-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 141146207
[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30938156
2,3-dihydro-1H-inden-5-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021240

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 150578380) is [4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(CC2=CC=CCN2c2ncns2)CC1.
What is the InChIKey of [4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is INHOVQAEDAMMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5OS/c21-20(22,23)16-5-3-4-15(12-16)18(29)27-10-8-26(9-11-27)13-17-6-1-2-7-28(17)19-24-14-25-30-19/h1-6,12,14H,7-11,13H2.
What are the key properties of [4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 435.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(1,2,4-thiadiazol-5-yl)-2H-pyridin-6-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 150578380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).