2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole

C22H24N4OS — CID 155160406

IUPAC2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2ccc(CC(C)(C)c3nc4cccnc4s3)cc2)o1
InChIInChI=1S/C22H24N4OS/c1-21(2,3)19-26-25-17(27-19)15-10-8-14(9-11-15)13-22(4,5)20-24-16-7-6-12-23-18(16)28-20/h6-12H,13H2,1-5H3
InChIKeyGXMYVCKRIKCHSG-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.56
Rot. Bonds4

About 2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole

2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole (PubChem CID 155160406) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole
PubChem CID155160406
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2ccc(CC(C)(C)c3nc4cccnc4s3)cc2)o1
InChIInChI=1S/C22H24N4OS/c1-21(2,3)19-26-25-17(27-19)15-10-8-14(9-11-15)13-22(4,5)20-24-16-7-6-12-23-18(16)28-20/h6-12H,13H2,1-5H3
InChIKeyGXMYVCKRIKCHSG-UHFFFAOYSA-N
XLogP5.56
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole (CID 155160406) is 2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole is CC(C)(C)c1nnc(-c2ccc(CC(C)(C)c3nc4cccnc4s3)cc2)o1.
What is the InChIKey of 2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is GXMYVCKRIKCHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-21(2,3)19-26-25-17(27-19)15-10-8-14(9-11-15)13-22(4,5)20-24-16-7-6-12-23-18(16)28-20/h6-12H,13H2,1-5H3.
What are the key properties of 2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole?
2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 392.53 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[4-[2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155160406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).