2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole

C21H21N5OS — CID 92598737

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc([C@H]2CCCN(Cc3cccc4cccnc34)C2)o1
InChIInChI=1S/C21H21N5OS/c1-14-19(28-13-23-14)21-25-24-20(27-21)17-8-4-10-26(12-17)11-16-6-2-5-15-7-3-9-22-18(15)16/h2-3,5-7,9,13,17H,4,8,10-12H2,1H3/t17-/m0/s1
InChIKeyHXXJIAKIWZPSKT-KRWDZBQOSA-N
MW391.50 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole

2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 92598737) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
PubChem CID92598737
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc([C@H]2CCCN(Cc3cccc4cccnc34)C2)o1
InChIInChI=1S/C21H21N5OS/c1-14-19(28-13-23-14)21-25-24-20(27-21)17-8-4-10-26(12-17)11-16-6-2-5-15-7-3-9-22-18(15)16/h2-3,5-7,9,13,17H,4,8,10-12H2,1H3/t17-/m0/s1
InChIKeyHXXJIAKIWZPSKT-KRWDZBQOSA-N
XLogP4.43
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole (CID 92598737) is 2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole is Cc1ncsc1-c1nnc([C@H]2CCCN(Cc3cccc4cccnc34)C2)o1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is HXXJIAKIWZPSKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-14-19(28-13-23-14)21-25-24-20(27-21)17-8-4-10-26(12-17)11-16-6-2-5-15-7-3-9-22-18(15)16/h2-3,5-7,9,13,17H,4,8,10-12H2,1H3/t17-/m0/s1.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 391.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 92598737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).