[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

C21H20N4OS — CID 40723165

IUPAC[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccc2nc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cn12
InChIInChI=1S/C21H20N4OS/c1-14-6-4-10-19-22-17(13-25(14)19)21(26)24-11-5-7-15(12-24)20-23-16-8-2-3-9-18(16)27-20/h2-4,6,8-10,13,15H,5,7,11-12H2,1H3/t15-/m0/s1
InChIKeyBASUWFYPQVSQNE-HNNXBMFYSA-N
MW376.49 g/mol
LogP4.27
Rot. Bonds2

About [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 40723165) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID40723165
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccc2nc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cn12
InChIInChI=1S/C21H20N4OS/c1-14-6-4-10-19-22-17(13-25(14)19)21(26)24-11-5-7-15(12-24)20-23-16-8-2-3-9-18(16)27-20/h2-4,6,8-10,13,15H,5,7,11-12H2,1H3/t15-/m0/s1
InChIKeyBASUWFYPQVSQNE-HNNXBMFYSA-N
XLogP4.27
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9224009
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 9235459
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 9234897
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 16857587
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromophenyl)methanone
CID 26755514
4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 9223935
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 9233059
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9291499
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 8849883
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(diethylamino)phenyl]methanone
CID 9150545
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 9235714
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]pentane-1,4-dione
CID 9235219

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 40723165) is [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1cccc2nc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cn12.
What is the InChIKey of [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is BASUWFYPQVSQNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-6-4-10-19-22-17(13-25(14)19)21(26)24-11-5-7-15(12-24)20-23-16-8-2-3-9-18(16)27-20/h2-4,6,8-10,13,15H,5,7,11-12H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 376.49 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 40723165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).