N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide

C24H21N3O3S — CID 124727775

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 124727775) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
• PubChem CID: 124727775
• Molecular Formula: C24H21N3O3S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.13
• IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4O[C@@H]4CCOC4)cc3)sc2c1
• InChI: InChI=1S/C24H21N3O3S/c1-15-4-9-20-21(13-15)31-24(27-20)16-5-7-17(8-6-16)26-22(28)19-3-2-11-25-23(19)30-18-10-12-29-14-18/h2-9,11,13,18H,10,12,14H2,1H3,(H,26,28)/t18-/m1/s1
• InChIKey: SGTIQHZMCHBEAB-GOSISDBHSA-N
• XLogP: 5.09
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide?

The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide (CID 124727775) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide.

What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide?

The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4O[C@@H]4CCOC4)cc3)sc2c1.

What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide?

The InChIKey is SGTIQHZMCHBEAB-GOSISDBHSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-15-4-9-20-21(13-15)31-24(27-20)16-5-7-17(8-6-16)26-22(28)19-3-2-11-25-23(19)30-18-10-12-29-14-18/h2-9,11,13,18H,10,12,14H2,1H3,(H,26,28)/t18-/m1/s1.

What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide?

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 124727775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).