4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one

C20H17N3O2S — CID 170715907

IUPAC4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)s2)CCN1
InChIInChI=1S/C20H17N3O2S/c24-16-13-23(12-11-21-16)20(25)19-22-17(14-7-3-1-4-8-14)18(26-19)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,24)
InChIKeyVUKVCIBQKXPECY-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.05
Rot. Bonds3

About 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one

4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one (PubChem CID 170715907) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one
PubChem CID170715907
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)s2)CCN1
InChIInChI=1S/C20H17N3O2S/c24-16-13-23(12-11-21-16)20(25)19-22-17(14-7-3-1-4-8-14)18(26-19)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,24)
InChIKeyVUKVCIBQKXPECY-UHFFFAOYSA-N
XLogP3.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one (CID 170715907) is 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)s2)CCN1.
What is the InChIKey of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one?
The InChIKey is VUKVCIBQKXPECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-16-13-23(12-11-21-16)20(25)19-22-17(14-7-3-1-4-8-14)18(26-19)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,24).
What are the key properties of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one?
4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one has a molecular weight of 363.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 170715907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).