5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol

C24H19F6N5OS — CID 137137687

IUPAC5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol
SMILESOc1nc(N2CCNCC2)sc1C(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)=c1ccc2c(c1)C=NN=2
InChIInChI=1S/C24H19F6N5OS/c25-23(26,27)16-3-1-14(18(11-16)24(28,29)30)10-17(13-2-4-19-15(9-13)12-32-34-19)20-21(36)33-22(37-20)35-7-5-31-6-8-35/h1-4,9,11-12,31,36H,5-8,10H2
InChIKeyJETZOUMBLKWFEQ-UHFFFAOYSA-N
MW539.51 g/mol
LogP3.70
Rot. Bonds4

About 5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol

5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol (PubChem CID 137137687) has the molecular formula C24H19F6N5OS and a molecular weight of 539.51 g/mol. Its IUPAC name is 5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol
PubChem CID137137687
Molecular FormulaC24H19F6N5OS
Molecular Weight539.51 g/mol
Exact Mass539.12
IUPAC Name5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol
SMILESOc1nc(N2CCNCC2)sc1C(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)=c1ccc2c(c1)C=NN=2
InChIInChI=1S/C24H19F6N5OS/c25-23(26,27)16-3-1-14(18(11-16)24(28,29)30)10-17(13-2-4-19-15(9-13)12-32-34-19)20-21(36)33-22(37-20)35-7-5-31-6-8-35/h1-4,9,11-12,31,36H,5-8,10H2
InChIKeyJETZOUMBLKWFEQ-UHFFFAOYSA-N
XLogP3.70
TPSA73.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-aminoazetidin-1-yl)-5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-1,3-thiazol-4-ol
CID 137118022
5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-isocyanopiperidin-1-yl)-1,3-thiazol-4-ol
CID 137093463
(3S)-1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidine-3-carboxylic acid
CID 137078395
N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]methanesulfonamide
CID 137095159
5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-4-ol
CID 137103621
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(3-fluoroazetidin-1-yl)-1,3-thiazol-4-ol
CID 137094665
methyl 3-[[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]azetidine-3-carbonyl]amino]propanoate
CID 137035478
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1,3-thiazol-4-ol
CID 137159426
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]-1,3-thiazol-4-ol
CID 137156348
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-1,3-thiazol-4-ol
CID 137083719
(2S)-1-[5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 137082093
5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-methylsulfanyl-1,3-thiazol-4-ol
CID 137150234

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol?
The IUPAC name of 5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol (CID 137137687) is 5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol?
The canonical SMILES for 5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol is Oc1nc(N2CCNCC2)sc1C(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)=c1ccc2c(c1)C=NN=2.
What is the InChIKey of 5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol?
The InChIKey is JETZOUMBLKWFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N5OS/c25-23(26,27)16-3-1-14(18(11-16)24(28,29)30)10-17(13-2-4-19-15(9-13)12-32-34-19)20-21(36)33-22(37-20)35-7-5-31-6-8-35/h1-4,9,11-12,31,36H,5-8,10H2.
What are the key properties of 5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol?
5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol has a molecular weight of 539.51 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-piperazin-1-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 137137687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).