2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole

C23H24F3N3S — CID 14727014

IUPAC2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cs1
InChIInChI=1S/C23H24F3N3S/c1-17-27-22(16-30-17)19-7-5-18(6-8-19)9-10-28-11-13-29(14-12-28)21-4-2-3-20(15-21)23(24,25)26/h2-8,15-16H,9-14H2,1H3
InChIKeyAZCKQNZSLFBLOM-UHFFFAOYSA-N
MW431.53 g/mol
LogP5.50
Rot. Bonds5

About 2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole

2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole (PubChem CID 14727014) has the molecular formula C23H24F3N3S and a molecular weight of 431.53 g/mol. Its IUPAC name is 2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole
PubChem CID14727014
Molecular FormulaC23H24F3N3S
Molecular Weight431.53 g/mol
Exact Mass431.16
IUPAC Name2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cs1
InChIInChI=1S/C23H24F3N3S/c1-17-27-22(16-30-17)19-7-5-18(6-8-19)9-10-28-11-13-29(14-12-28)21-4-2-3-20(15-21)23(24,25)26/h2-8,15-16H,9-14H2,1H3
InChIKeyAZCKQNZSLFBLOM-UHFFFAOYSA-N
XLogP5.50
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole (CID 14727014) is 2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole is Cc1nc(-c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cs1.
What is the InChIKey of 2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole?
The InChIKey is AZCKQNZSLFBLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3S/c1-17-27-22(16-30-17)19-7-5-18(6-8-19)9-10-28-11-13-29(14-12-28)21-4-2-3-20(15-21)23(24,25)26/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole?
2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole has a molecular weight of 431.53 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 14727014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).