5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine

C50H52N10O7S2 — CID 164966210

About 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine

5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine (PubChem CID 164966210) has the molecular formula C50H52N10O7S2 and a molecular weight of 969.16 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine.

Molecular Properties

• Compound Name: 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine
• PubChem CID: 164966210
• Molecular Formula: C50H52N10O7S2
• Molecular Weight: 969.16 g/mol
• Exact Mass: 968.35
• IUPAC Name: 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine
• SMILES: COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cccnc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.NCc1cccnc1OC1CCCC1
• InChI: InChI=1S/C25H25N5O3S.C14H11N3O3S.C11H16N2O/c1-32-24-19(11-17(14-29-24)15-8-9-20-21(12-15)34-25(26)30-20)22(31)28-13-16-5-4-10-27-23(16)33-18-6-2-3-7-18;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;12-8-9-4-3-7-13-11(9)14-10-5-1-2-6-10/h4-5,8-12,14,18H,2-3,6-7,13H2,1H3,(H2,26,30)(H,28,31);2-6H,1H3,(H2,15,17)(H,18,19);3-4,7,10H,1-2,5-6,8,12H2
• InChIKey: CMWSXCOFIHFIKG-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 258.72 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	969.16
LogP ≤ 5	9.10
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)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine?

The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine (CID 164966210) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine.

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

The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine is COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cccnc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.NCc1cccnc1OC1CCCC1.

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

The InChIKey is CMWSXCOFIHFIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S.C14H11N3O3S.C11H16N2O/c1-32-24-19(11-17(14-29-24)15-8-9-20-21(12-15)34-25(26)30-20)22(31)28-13-16-5-4-10-27-23(16)33-18-6-2-3-7-18;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;12-8-9-4-3-7-13-11(9)14-10-5-1-2-6-10/h4-5,8-12,14,18H,2-3,6-7,13H2,1H3,(H2,26,30)(H,28,31);2-6H,1H3,(H2,15,17)(H,18,19);3-4,7,10H,1-2,5-6,8,12H2.

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

5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine has a molecular weight of 969.16 g/mol, XLogP of 9.10, 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)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;(2-cyclopentyloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 164966210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).