2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide

C19H22N6O2S — CID 56851921

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
SMILESCc1nn2cc(CNC(=O)CC3C(=O)NCCN3Cc3ccccc3)nc2s1
InChIInChI=1S/C19H22N6O2S/c1-13-23-25-12-15(22-19(25)28-13)10-21-17(26)9-16-18(27)20-7-8-24(16)11-14-5-3-2-4-6-14/h2-6,12,16H,7-11H2,1H3,(H,20,27)(H,21,26)
InChIKeyFIJMZBBYCPCVJH-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.11
Rot. Bonds6

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide (PubChem CID 56851921) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
PubChem CID56851921
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
SMILESCc1nn2cc(CNC(=O)CC3C(=O)NCCN3Cc3ccccc3)nc2s1
InChIInChI=1S/C19H22N6O2S/c1-13-23-25-12-15(22-19(25)28-13)10-21-17(26)9-16-18(27)20-7-8-24(16)11-14-5-3-2-4-6-14/h2-6,12,16H,7-11H2,1H3,(H,20,27)(H,21,26)
InChIKeyFIJMZBBYCPCVJH-UHFFFAOYSA-N
XLogP1.11
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide (CID 56851921) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide is Cc1nn2cc(CNC(=O)CC3C(=O)NCCN3Cc3ccccc3)nc2s1.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide?
The InChIKey is FIJMZBBYCPCVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-13-23-25-12-15(22-19(25)28-13)10-21-17(26)9-16-18(27)20-7-8-24(16)11-14-5-3-2-4-6-14/h2-6,12,16H,7-11H2,1H3,(H,20,27)(H,21,26).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide is sourced from PubChem (CID 56851921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).