(4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C20H19N3OS — CID 15951403

IUPAC(4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C20H19N3OS/c24-19(22-11-13-23(14-12-22)20-21-10-15-25-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-10,15H,11-14H2
InChIKeyNEIXUFDJEAMIIT-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.77
Rot. Bonds3

About (4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 15951403) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is (4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID15951403
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name(4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C20H19N3OS/c24-19(22-11-13-23(14-12-22)20-21-10-15-25-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-10,15H,11-14H2
InChIKeyNEIXUFDJEAMIIT-UHFFFAOYSA-N
XLogP3.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 15951403) is (4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of (4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is NEIXUFDJEAMIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-19(22-11-13-23(14-12-22)20-21-10-15-25-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-10,15H,11-14H2.
What are the key properties of (4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 349.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 15951403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).