[4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

C24H20F3N5O2S — CID 53327857

IUPAC[4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H20F3N5O2S/c1-31-10-11-32(13-19(31)21-28-18(14-35-21)15-6-3-2-4-7-15)22(33)17-9-5-8-16(12-17)20-29-23(34-30-20)24(25,26)27/h2-9,12,14,19H,10-11,13H2,1H3
InChIKeyMJICVSDOTBZKKA-UHFFFAOYSA-N
MW499.52 g/mol
LogP5.01
Rot. Bonds4

About [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

[4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (PubChem CID 53327857) has the molecular formula C24H20F3N5O2S and a molecular weight of 499.52 g/mol. Its IUPAC name is [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
PubChem CID53327857
Molecular FormulaC24H20F3N5O2S
Molecular Weight499.52 g/mol
Exact Mass499.13
IUPAC Name[4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H20F3N5O2S/c1-31-10-11-32(13-19(31)21-28-18(14-35-21)15-6-3-2-4-7-15)22(33)17-9-5-8-16(12-17)20-29-23(34-30-20)24(25,26)27/h2-9,12,14,19H,10-11,13H2,1H3
InChIKeyMJICVSDOTBZKKA-UHFFFAOYSA-N
XLogP5.01
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone 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 [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The IUPAC name of [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (CID 53327857) is [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.
What is the SMILES notation for [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The canonical SMILES for [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is CN1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1c1nc(-c2ccccc2)cs1.
What is the InChIKey of [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The InChIKey is MJICVSDOTBZKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2S/c1-31-10-11-32(13-19(31)21-28-18(14-35-21)15-6-3-2-4-7-15)22(33)17-9-5-8-16(12-17)20-29-23(34-30-20)24(25,26)27/h2-9,12,14,19H,10-11,13H2,1H3.
What are the key properties of [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
[4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone has a molecular weight of 499.52 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is sourced from PubChem (CID 53327857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).