5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine

C50H50N8O9S2 — CID 165062664

About 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine

5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine (PubChem CID 165062664) has the molecular formula C50H50N8O9S2 and a molecular weight of 971.13 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine.

Molecular Properties

• Compound Name: 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine
• PubChem CID: 165062664
• Molecular Formula: C50H50N8O9S2
• Molecular Weight: 971.13 g/mol
• Exact Mass: 970.31
• IUPAC Name: 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine
• SMILES: COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC1CCOC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.NCc1ccccc1OC1CCOC1
• InChI: InChI=1S/C25H24N4O4S.C14H11N3O3S.C11H15NO2/c1-31-24-19(10-17(13-28-24)15-6-7-20-22(11-15)34-25(26)29-20)23(30)27-12-16-4-2-3-5-21(16)33-18-8-9-32-14-18;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;12-7-9-3-1-2-4-11(9)14-10-5-6-13-8-10/h2-7,10-11,13,18H,8-9,12,14H2,1H3,(H2,26,29)(H,27,30);2-6H,1H3,(H2,15,17)(H,18,19);1-4,10H,5-8,12H2
• InChIKey: RLMPVTTYMREAMD-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 251.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	971.13
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine?

The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine (CID 165062664) is 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine.

What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine?

The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine is COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC1CCOC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.NCc1ccccc1OC1CCOC1.

What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine?

The InChIKey is RLMPVTTYMREAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S.C14H11N3O3S.C11H15NO2/c1-31-24-19(10-17(13-28-24)15-6-7-20-22(11-15)34-25(26)29-20)23(30)27-12-16-4-2-3-5-21(16)33-18-8-9-32-14-18;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;12-7-9-3-1-2-4-11(9)14-10-5-6-13-8-10/h2-7,10-11,13,18H,8-9,12,14H2,1H3,(H2,26,29)(H,27,30);2-6H,1H3,(H2,15,17)(H,18,19);1-4,10H,5-8,12H2.

What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine?

5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine has a molecular weight of 971.13 g/mol, XLogP of 8.01, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;[2-(oxolan-3-yloxy)phenyl]methanamine is sourced from PubChem (CID 165062664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).