N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

C19H24N4O2S — CID 45173708

IUPACN-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCN(Cc1nccs1)C(=O)CC1C(=O)NCCN1CCc1ccccc1
InChIInChI=1S/C19H24N4O2S/c1-22(14-17-20-9-12-26-17)18(24)13-16-19(25)21-8-11-23(16)10-7-15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3,(H,21,25)
InChIKeyHVILTUJXHFPZEY-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.53
Rot. Bonds7

About N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 45173708) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID45173708
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCN(Cc1nccs1)C(=O)CC1C(=O)NCCN1CCc1ccccc1
InChIInChI=1S/C19H24N4O2S/c1-22(14-17-20-9-12-26-17)18(24)13-16-19(25)21-8-11-23(16)10-7-15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3,(H,21,25)
InChIKeyHVILTUJXHFPZEY-UHFFFAOYSA-N
XLogP1.53
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 45173708) is N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is CN(Cc1nccs1)C(=O)CC1C(=O)NCCN1CCc1ccccc1.
What is the InChIKey of N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is HVILTUJXHFPZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-22(14-17-20-9-12-26-17)18(24)13-16-19(25)21-8-11-23(16)10-7-15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3,(H,21,25).
What are the key properties of N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 45173708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).