2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide

C21H24N6O2S — CID 163368462

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc4ncccc4c3)CC2)s1
InChIInChI=1S/C21H24N6O2S/c1-15(28)24-21-23-12-18(30-21)13-26-7-9-27(10-8-26)14-20(29)25-17-4-5-19-16(11-17)3-2-6-22-19/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,29)(H,23,24,28)
InChIKeyZDLLWPWVSMIZGM-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide (PubChem CID 163368462) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide
PubChem CID163368462
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc4ncccc4c3)CC2)s1
InChIInChI=1S/C21H24N6O2S/c1-15(28)24-21-23-12-18(30-21)13-26-7-9-27(10-8-26)14-20(29)25-17-4-5-19-16(11-17)3-2-6-22-19/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,29)(H,23,24,28)
InChIKeyZDLLWPWVSMIZGM-UHFFFAOYSA-N
XLogP2.41
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide (CID 163368462) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide is CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc4ncccc4c3)CC2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide?
The InChIKey is ZDLLWPWVSMIZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-15(28)24-21-23-12-18(30-21)13-26-7-9-27(10-8-26)14-20(29)25-17-4-5-19-16(11-17)3-2-6-22-19/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,29)(H,23,24,28).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide has a molecular weight of 424.53 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide is sourced from PubChem (CID 163368462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).