5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole

C19H19N3S — CID 91066270

IUPAC5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole
SMILESc1ccc(C2CN(c3cncs3)CCN2c2ccccc2)cc1
InChIInChI=1S/C19H19N3S/c1-3-7-16(8-4-1)18-14-21(19-13-20-15-23-19)11-12-22(18)17-9-5-2-6-10-17/h1-10,13,15,18H,11-12,14H2
InChIKeyRWMJMGBLLSXFES-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.21
Rot. Bonds3

About 5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole

5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole (PubChem CID 91066270) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole
PubChem CID91066270
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole
SMILESc1ccc(C2CN(c3cncs3)CCN2c2ccccc2)cc1
InChIInChI=1S/C19H19N3S/c1-3-7-16(8-4-1)18-14-21(19-13-20-15-23-19)11-12-22(18)17-9-5-2-6-10-17/h1-10,13,15,18H,11-12,14H2
InChIKeyRWMJMGBLLSXFES-UHFFFAOYSA-N
XLogP4.21
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole (CID 91066270) is 5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole is c1ccc(C2CN(c3cncs3)CCN2c2ccccc2)cc1.
What is the InChIKey of 5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is RWMJMGBLLSXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-3-7-16(8-4-1)18-14-21(19-13-20-15-23-19)11-12-22(18)17-9-5-2-6-10-17/h1-10,13,15,18H,11-12,14H2.
What are the key properties of 5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole?
5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 321.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 91066270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).