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

C24H22F3N5O2S — CID 137022504

IUPAC5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol
SMILESCN1CCN(c2nc(O)c(C(Cc3ccc(O)cc3C(F)(F)F)=c3ccc4c(c3)C=NN=4)s2)CC1
InChIInChI=1S/C24H22F3N5O2S/c1-31-6-8-32(9-7-31)23-29-22(34)21(35-23)18(14-3-5-20-16(10-14)13-28-30-20)11-15-2-4-17(33)12-19(15)24(25,26)27/h2-5,10,12-13,33-34H,6-9,11H2,1H3
InChIKeyRPPZXXSTFMHCAC-UHFFFAOYSA-N
MW501.53 g/mol
LogP2.73
Rot. Bonds4

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

5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol (PubChem CID 137022504) has the molecular formula C24H22F3N5O2S and a molecular weight of 501.53 g/mol. Its IUPAC name is 5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol
PubChem CID137022504
Molecular FormulaC24H22F3N5O2S
Molecular Weight501.53 g/mol
Exact Mass501.14
IUPAC Name5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol
SMILESCN1CCN(c2nc(O)c(C(Cc3ccc(O)cc3C(F)(F)F)=c3ccc4c(c3)C=NN=4)s2)CC1
InChIInChI=1S/C24H22F3N5O2S/c1-31-6-8-32(9-7-31)23-29-22(34)21(35-23)18(14-3-5-20-16(10-14)13-28-30-20)11-15-2-4-17(33)12-19(15)24(25,26)27/h2-5,10,12-13,33-34H,6-9,11H2,1H3
InChIKeyRPPZXXSTFMHCAC-UHFFFAOYSA-N
XLogP2.73
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol?
The IUPAC name of 5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol (CID 137022504) is 5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol is CN1CCN(c2nc(O)c(C(Cc3ccc(O)cc3C(F)(F)F)=c3ccc4c(c3)C=NN=4)s2)CC1.
What is the InChIKey of 5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol?
The InChIKey is RPPZXXSTFMHCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2S/c1-31-6-8-32(9-7-31)23-29-22(34)21(35-23)18(14-3-5-20-16(10-14)13-28-30-20)11-15-2-4-17(33)12-19(15)24(25,26)27/h2-5,10,12-13,33-34H,6-9,11H2,1H3.
What are the key properties of 5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol?
5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol has a molecular weight of 501.53 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 137022504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).