2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

C21H22N4OS — CID 73354066

IUPAC2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILES[H]/N=c1\scc(-c2ccccc2)n1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2/b22-21-
InChIKeyFFEHZWWAKZFKGK-DQRAZIAOSA-N
MW378.50 g/mol
LogP3.04
Rot. Bonds4

About 2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 73354066) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID73354066
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILES[H]/N=c1\scc(-c2ccccc2)n1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2/b22-21-
InChIKeyFFEHZWWAKZFKGK-DQRAZIAOSA-N
XLogP3.04
TPSA52.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 73354066) is 2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone is [H]/N=c1\scc(-c2ccccc2)n1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is FFEHZWWAKZFKGK-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2/b22-21-.
What are the key properties of 2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 378.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 73354066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).