3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole

C19H24N4OS — CID 47034350

IUPAC3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCC(c3nc4ccccc4s3)CC2)no1
InChIInChI=1S/C19H24N4OS/c1-19(2,3)18-21-16(22-24-18)12-23-10-8-13(9-11-23)17-20-14-6-4-5-7-15(14)25-17/h4-7,13H,8-12H2,1-3H3
InChIKeyUWCRWYLGBVDTQT-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.36
Rot. Bonds3

About 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole

3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole (PubChem CID 47034350) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole
PubChem CID47034350
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCC(c3nc4ccccc4s3)CC2)no1
InChIInChI=1S/C19H24N4OS/c1-19(2,3)18-21-16(22-24-18)12-23-10-8-13(9-11-23)17-20-14-6-4-5-7-15(14)25-17/h4-7,13H,8-12H2,1-3H3
InChIKeyUWCRWYLGBVDTQT-UHFFFAOYSA-N
XLogP4.36
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole (CID 47034350) is 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole is CC(C)(C)c1nc(CN2CCC(c3nc4ccccc4s3)CC2)no1.
What is the InChIKey of 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole?
The InChIKey is UWCRWYLGBVDTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-19(2,3)18-21-16(22-24-18)12-23-10-8-13(9-11-23)17-20-14-6-4-5-7-15(14)25-17/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole?
3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole has a molecular weight of 356.50 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole is sourced from PubChem (CID 47034350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).