2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole

C20H21N3S — CID 6937303

IUPAC2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C20H21N3S/c1-3-7-17(8-4-1)20-21-18(16-24-20)15-22-11-13-23(14-12-22)19-9-5-2-6-10-19/h1-10,16H,11-15H2
InChIKeyYXAYUWVURAQPQH-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.13
Rot. Bonds4

About 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole

2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 6937303) has the molecular formula C20H21N3S and a molecular weight of 335.48 g/mol. Its IUPAC name is 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID6937303
Molecular FormulaC20H21N3S
Molecular Weight335.48 g/mol
Exact Mass335.15
IUPAC Name2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C20H21N3S/c1-3-7-17(8-4-1)20-21-18(16-24-20)15-22-11-13-23(14-12-22)19-9-5-2-6-10-19/h1-10,16H,11-15H2
InChIKeyYXAYUWVURAQPQH-UHFFFAOYSA-N
XLogP4.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole (CID 6937303) is 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole is c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1.
What is the InChIKey of 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is YXAYUWVURAQPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S/c1-3-7-17(8-4-1)20-21-18(16-24-20)15-22-11-13-23(14-12-22)19-9-5-2-6-10-19/h1-10,16H,11-15H2.
What are the key properties of 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 335.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 6937303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).