4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide

C22H20N4OS — CID 44546746

IUPAC4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nc3ccc(-c4ccncc4)nc3s2)cc1
InChIInChI=1S/C22H20N4OS/c1-22(2,3)16-6-4-15(5-7-16)19(27)26-21-25-18-9-8-17(24-20(18)28-21)14-10-12-23-13-11-14/h4-13H,1-3H3,(H,25,26,27)
InChIKeyBOZOSYGJUREOLA-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.30
Rot. Bonds3

About 4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide

4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide (PubChem CID 44546746) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
PubChem CID44546746
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nc3ccc(-c4ccncc4)nc3s2)cc1
InChIInChI=1S/C22H20N4OS/c1-22(2,3)16-6-4-15(5-7-16)19(27)26-21-25-18-9-8-17(24-20(18)28-21)14-10-12-23-13-11-14/h4-13H,1-3H3,(H,25,26,27)
InChIKeyBOZOSYGJUREOLA-UHFFFAOYSA-N
XLogP5.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide (CID 44546746) is 4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2nc3ccc(-c4ccncc4)nc3s2)cc1.
What is the InChIKey of 4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
The InChIKey is BOZOSYGJUREOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-22(2,3)16-6-4-15(5-7-16)19(27)26-21-25-18-9-8-17(24-20(18)28-21)14-10-12-23-13-11-14/h4-13H,1-3H3,(H,25,26,27).
What are the key properties of 4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide?
4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide has a molecular weight of 388.50 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 44546746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).