6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C21H24N4O3S — CID 164769529

About 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide

6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 164769529) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide
• PubChem CID: 164769529
• Molecular Formula: C21H24N4O3S
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.16
• IUPAC Name: 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide
• SMILES: CC(C)OC(C)(C)c1csc(NC(=O)c2cccc(=O)n2Cc2ccncc2)n1
• InChI: InChI=1S/C21H24N4O3S/c1-14(2)28-21(3,4)17-13-29-20(23-17)24-19(27)16-6-5-7-18(26)25(16)12-15-8-10-22-11-9-15/h5-11,13-14H,12H2,1-4H3,(H,23,24,27)
• InChIKey: CWHNXMSWFYGJFD-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide?

The IUPAC name of 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 164769529) is 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

What is the SMILES notation for 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide?

The canonical SMILES for 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide is CC(C)OC(C)(C)c1csc(NC(=O)c2cccc(=O)n2Cc2ccncc2)n1.

What is the InChIKey of 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide?

The InChIKey is CWHNXMSWFYGJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14(2)28-21(3,4)17-13-29-20(23-17)24-19(27)16-6-5-7-18(26)25(16)12-15-8-10-22-11-9-15/h5-11,13-14H,12H2,1-4H3,(H,23,24,27).

What are the key properties of 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide?

6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-oxo-N-[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164769529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).