2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

C22H22N4OS — CID 9207421

IUPAC2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESC[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C22H22N4OS/c1-15(20-24-25-21(27-20)16-7-3-2-4-8-16)26-13-11-17(12-14-26)22-23-18-9-5-6-10-19(18)28-22/h2-10,15,17H,11-14H2,1H3/t15-/m0/s1
InChIKeyXYNXZFMFPIJFAE-HNNXBMFYSA-N
MW390.51 g/mol
LogP5.29
Rot. Bonds4

About 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 9207421) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID9207421
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESC[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C22H22N4OS/c1-15(20-24-25-21(27-20)16-7-3-2-4-8-16)26-13-11-17(12-14-26)22-23-18-9-5-6-10-19(18)28-22/h2-10,15,17H,11-14H2,1H3/t15-/m0/s1
InChIKeyXYNXZFMFPIJFAE-HNNXBMFYSA-N
XLogP5.29
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 41099273
2-[(1S)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 25399378
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide
CID 9336787
2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
CID 47544378
2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 31873148
2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 17408693
N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
CID 95774401
(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzyl-N-methylpropanamide
CID 9356997
2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40939270
2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
CID 56810609
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 9336851
2-[(1R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 31379835

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 9207421) is 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is XYNXZFMFPIJFAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-15(20-24-25-21(27-20)16-7-3-2-4-8-16)26-13-11-17(12-14-26)22-23-18-9-5-6-10-19(18)28-22/h2-10,15,17H,11-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 390.51 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 9207421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).