2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C21H23N4OS+ — CID 7339731

IUPAC2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H22N4OS/c26-20(23-21-22-19(16-27-21)17-7-3-1-4-8-17)15-24-11-13-25(14-12-24)18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H,22,23,26)/p+1
InChIKeyQHPQGQRBITXROR-UHFFFAOYSA-O
MW379.51 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 7339731) has the molecular formula C21H23N4OS+ and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID7339731
Molecular FormulaC21H23N4OS+
Molecular Weight379.51 g/mol
Exact Mass379.16
IUPAC Name2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H22N4OS/c26-20(23-21-22-19(16-27-21)17-7-3-1-4-8-17)15-24-11-13-25(14-12-24)18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H,22,23,26)/p+1
InChIKeyQHPQGQRBITXROR-UHFFFAOYSA-O
XLogP2.15
TPSA49.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2653965
2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide
CID 7435853
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7390121
ethyl 4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 9431036
2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3455286
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34737670
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2158825
2-(2-morpholin-4-ylethylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 134064684

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 7339731) is 2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QHPQGQRBITXROR-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N4OS/c26-20(23-21-22-19(16-27-21)17-7-3-1-4-8-17)15-24-11-13-25(14-12-24)18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H,22,23,26)/p+1.
What are the key properties of 2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7339731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).