4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole

C20H20N6S — CID 97282493

IUPAC4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESc1ccc2nc(N3CCC[C@@H](c4nccn4Cc4cscn4)C3)cnc2c1
InChIInChI=1S/C20H20N6S/c1-2-6-18-17(5-1)22-10-19(24-18)25-8-3-4-15(11-25)20-21-7-9-26(20)12-16-13-27-14-23-16/h1-2,5-7,9-10,13-15H,3-4,8,11-12H2/t15-/m1/s1
InChIKeyJSSCMMHVXUFESU-OAHLLOKOSA-N
MW376.49 g/mol
LogP3.72
Rot. Bonds4

About 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole

4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 97282493) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID97282493
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESc1ccc2nc(N3CCC[C@@H](c4nccn4Cc4cscn4)C3)cnc2c1
InChIInChI=1S/C20H20N6S/c1-2-6-18-17(5-1)22-10-19(24-18)25-8-3-4-15(11-25)20-21-7-9-26(20)12-16-13-27-14-23-16/h1-2,5-7,9-10,13-15H,3-4,8,11-12H2/t15-/m1/s1
InChIKeyJSSCMMHVXUFESU-OAHLLOKOSA-N
XLogP3.72
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole
CID 97280397
4-[[2-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97284684
N,N-dimethyl-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrazin-2-amine
CID 72893943
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97280833
4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72901239
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72849518
2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97207632
4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282594
2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 97202523
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72905841
4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72890911

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole (CID 97282493) is 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole is c1ccc2nc(N3CCC[C@@H](c4nccn4Cc4cscn4)C3)cnc2c1.
What is the InChIKey of 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is JSSCMMHVXUFESU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N6S/c1-2-6-18-17(5-1)22-10-19(24-18)25-8-3-4-15(11-25)20-21-7-9-26(20)12-16-13-27-14-23-16/h1-2,5-7,9-10,13-15H,3-4,8,11-12H2/t15-/m1/s1.
What are the key properties of 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 376.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97282493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).