4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole

C22H20N4S2 — CID 14573306

IUPAC4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESc1ccc(-c2csc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)n2)cc1
InChIInChI=1S/C22H20N4S2/c1-3-7-17(8-4-1)19-15-27-21(23-19)25-11-13-26(14-12-25)22-24-20(16-28-22)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyXUJLWTLDBAWTLD-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.26
Rot. Bonds4

About 4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole

4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 14573306) has the molecular formula C22H20N4S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID14573306
Molecular FormulaC22H20N4S2
Molecular Weight404.56 g/mol
Exact Mass404.11
IUPAC Name4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESc1ccc(-c2csc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)n2)cc1
InChIInChI=1S/C22H20N4S2/c1-3-7-17(8-4-1)19-15-27-21(23-19)25-11-13-26(14-12-25)22-24-20(16-28-22)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyXUJLWTLDBAWTLD-UHFFFAOYSA-N
XLogP5.26
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole (CID 14573306) is 4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole is c1ccc(-c2csc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)n2)cc1.
What is the InChIKey of 4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is XUJLWTLDBAWTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S2/c1-3-7-17(8-4-1)19-15-27-21(23-19)25-11-13-26(14-12-25)22-24-20(16-28-22)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2.
What are the key properties of 4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 404.56 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 14573306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).