5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol

C24H23F6N3O2S — CID 123566242

IUPAC5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol
SMILESCN1CCN(c2nc(O)c(Cc3ccc(OCc4ccc(C(F)(F)F)cc4C(F)(F)F)cc3)s2)CC1
InChIInChI=1S/C24H23F6N3O2S/c1-32-8-10-33(11-9-32)22-31-21(34)20(36-22)12-15-2-6-18(7-3-15)35-14-16-4-5-17(23(25,26)27)13-19(16)24(28,29)30/h2-7,13,34H,8-12,14H2,1H3
InChIKeyHPEPLPRFGARKHX-UHFFFAOYSA-N
MW531.52 g/mol
LogP5.81
Rot. Bonds6

About 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol

5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol (PubChem CID 123566242) has the molecular formula C24H23F6N3O2S and a molecular weight of 531.52 g/mol. Its IUPAC name is 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol
PubChem CID123566242
Molecular FormulaC24H23F6N3O2S
Molecular Weight531.52 g/mol
Exact Mass531.14
IUPAC Name5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol
SMILESCN1CCN(c2nc(O)c(Cc3ccc(OCc4ccc(C(F)(F)F)cc4C(F)(F)F)cc3)s2)CC1
InChIInChI=1S/C24H23F6N3O2S/c1-32-8-10-33(11-9-32)22-31-21(34)20(36-22)12-15-2-6-18(7-3-15)35-14-16-4-5-17(23(25,26)27)13-19(16)24(28,29)30/h2-7,13,34H,8-12,14H2,1H3
InChIKeyHPEPLPRFGARKHX-UHFFFAOYSA-N
XLogP5.81
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.52
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-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-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol?
The IUPAC name of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol (CID 123566242) is 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol is CN1CCN(c2nc(O)c(Cc3ccc(OCc4ccc(C(F)(F)F)cc4C(F)(F)F)cc3)s2)CC1.
What is the InChIKey of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol?
The InChIKey is HPEPLPRFGARKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F6N3O2S/c1-32-8-10-33(11-9-32)22-31-21(34)20(36-22)12-15-2-6-18(7-3-15)35-14-16-4-5-17(23(25,26)27)13-19(16)24(28,29)30/h2-7,13,34H,8-12,14H2,1H3.
What are the key properties of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol?
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol has a molecular weight of 531.52 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 123566242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).