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

C21H23N5O2S — CID 163368445

IUPAC1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc4ncccc4c3)CC2)s1
InChIInChI=1S/C21H23N5O2S/c1-14(27)24-21-23-12-18(29-21)13-26-9-6-15(7-10-26)20(28)25-17-4-5-19-16(11-17)3-2-8-22-19/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H,25,28)(H,23,24,27)
InChIKeySBGCLXIHXJKXGT-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.50
Rot. Bonds5

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

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide (PubChem CID 163368445) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide
PubChem CID163368445
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc4ncccc4c3)CC2)s1
InChIInChI=1S/C21H23N5O2S/c1-14(27)24-21-23-12-18(29-21)13-26-9-6-15(7-10-26)20(28)25-17-4-5-19-16(11-17)3-2-8-22-19/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H,25,28)(H,23,24,27)
InChIKeySBGCLXIHXJKXGT-UHFFFAOYSA-N
XLogP3.50
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

Timegadine
CID 68902
3-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10403012
3-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10425386
3-[2-(2-Ethylpyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21928512
6-(4-Methylpiperazin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10250785
3-[4-(Pyridin-2-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21928417
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 1442829
1-(5-Cyclobutyl-thiazol-2-yl)-3-quinolin-6-yl-urea
CID 9858435
1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-5-yl-urea
CID 9901793
1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-6-yl-urea
CID 9923299
1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-8-yl-urea
CID 9923300

Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide (CID 163368445) is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide is CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc4ncccc4c3)CC2)s1.
What is the InChIKey of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide?
The InChIKey is SBGCLXIHXJKXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-14(27)24-21-23-12-18(29-21)13-26-9-6-15(7-10-26)20(28)25-17-4-5-19-16(11-17)3-2-8-22-19/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H,25,28)(H,23,24,27).
What are the key properties of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide?
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide is sourced from PubChem (CID 163368445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).