2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine

C20H22N4OS — CID 126724348

IUPAC2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)(C)c1nc2ccc(CC(C)(C)c3nc4cccnc4o3)nc2s1
InChIInChI=1S/C20H22N4OS/c1-19(2,3)18-24-14-9-8-12(22-16(14)26-18)11-20(4,5)17-23-13-7-6-10-21-15(13)25-17/h6-10H,11H2,1-5H3
InChIKeyPDUKRWMPJSYXNG-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.05
Rot. Bonds3

About 2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine

2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 126724348) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID126724348
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)(C)c1nc2ccc(CC(C)(C)c3nc4cccnc4o3)nc2s1
InChIInChI=1S/C20H22N4OS/c1-19(2,3)18-24-14-9-8-12(22-16(14)26-18)11-20(4,5)17-23-13-7-6-10-21-15(13)25-17/h6-10H,11H2,1-5H3
InChIKeyPDUKRWMPJSYXNG-UHFFFAOYSA-N
XLogP5.05
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine (CID 126724348) is 2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine is CC(C)(C)c1nc2ccc(CC(C)(C)c3nc4cccnc4o3)nc2s1.
What is the InChIKey of 2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is PDUKRWMPJSYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-19(2,3)18-24-14-9-8-12(22-16(14)26-18)11-20(4,5)17-23-13-7-6-10-21-15(13)25-17/h6-10H,11H2,1-5H3.
What are the key properties of 2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine?
2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 366.49 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 126724348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).