3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole

C18H21N5OS — CID 127365253

IUPAC3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCN(c3nnc(-c4ccccc4)s3)C2)no1
InChIInChI=1S/C18H21N5OS/c1-12(2)16-19-15(22-24-16)14-9-6-10-23(11-14)18-21-20-17(25-18)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKeyOOAFEYGWLDJHFN-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.10
Rot. Bonds4

About 3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole

3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 127365253) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID127365253
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCN(c3nnc(-c4ccccc4)s3)C2)no1
InChIInChI=1S/C18H21N5OS/c1-12(2)16-19-15(22-24-16)14-9-6-10-23(11-14)18-21-20-17(25-18)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKeyOOAFEYGWLDJHFN-UHFFFAOYSA-N
XLogP4.10
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 95766139
2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97271410
(2R)-2-phenyl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734769
2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 154800956
furan-2-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734780
5-chloro-6-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 95763138
5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95766144
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734693
5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
CID 59657771
1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95734726
(2S)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773712
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95740587

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole (CID 127365253) is 3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(C2CCCN(c3nnc(-c4ccccc4)s3)C2)no1.
What is the InChIKey of 3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is OOAFEYGWLDJHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12(2)16-19-15(22-24-16)14-9-6-10-23(11-14)18-21-20-17(25-18)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3.
What are the key properties of 3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 355.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 127365253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).