2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone

C22H24N4OS — CID 134156637

IUPAC2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNc2nc(-c3ccccc3)c(-c3ccccc3)s2)CC1
InChIInChI=1S/C22H24N4OS/c1-25-12-14-26(15-13-25)19(27)16-23-22-24-20(17-8-4-2-5-9-17)21(28-22)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,23,24)
InChIKeyNSGSIJZIRIBNEM-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.66
Rot. Bonds5

About 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 134156637) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID134156637
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNc2nc(-c3ccccc3)c(-c3ccccc3)s2)CC1
InChIInChI=1S/C22H24N4OS/c1-25-12-14-26(15-13-25)19(27)16-23-22-24-20(17-8-4-2-5-9-17)21(28-22)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,23,24)
InChIKeyNSGSIJZIRIBNEM-UHFFFAOYSA-N
XLogP3.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

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N-benzyl-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 134156637) is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNc2nc(-c3ccccc3)c(-c3ccccc3)s2)CC1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is NSGSIJZIRIBNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-25-12-14-26(15-13-25)19(27)16-23-22-24-20(17-8-4-2-5-9-17)21(28-22)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,23,24).
What are the key properties of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 392.53 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 134156637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).