2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole

C16H16N4S — CID 124883316

IUPAC2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole
SMILESc1ccc2nc(N3CCC[C@H](c4nccs4)C3)cnc2c1
InChIInChI=1S/C16H16N4S/c1-2-6-14-13(5-1)18-10-15(19-14)20-8-3-4-12(11-20)16-17-7-9-21-16/h1-2,5-7,9-10,12H,3-4,8,11H2/t12-/m0/s1
InChIKeyQADJGQVSIOZQFR-LBPRGKRZSA-N
MW296.40 g/mol
LogP3.47
Rot. Bonds2

About 2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole

2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole (PubChem CID 124883316) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole
PubChem CID124883316
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole
SMILESc1ccc2nc(N3CCC[C@H](c4nccs4)C3)cnc2c1
InChIInChI=1S/C16H16N4S/c1-2-6-14-13(5-1)18-10-15(19-14)20-8-3-4-12(11-20)16-17-7-9-21-16/h1-2,5-7,9-10,12H,3-4,8,11H2/t12-/m0/s1
InChIKeyQADJGQVSIOZQFR-LBPRGKRZSA-N
XLogP3.47
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
CID 94496992
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline
CID 146045794
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline
CID 95225378
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline
CID 63390007
4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282493
methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate
CID 133469455
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide
CID 97340602
1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone
CID 97340593
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole (CID 124883316) is 2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole is c1ccc2nc(N3CCC[C@H](c4nccs4)C3)cnc2c1.
What is the InChIKey of 2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole?
The InChIKey is QADJGQVSIOZQFR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N4S/c1-2-6-14-13(5-1)18-10-15(19-14)20-8-3-4-12(11-20)16-17-7-9-21-16/h1-2,5-7,9-10,12H,3-4,8,11H2/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole?
2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole has a molecular weight of 296.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 124883316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).