[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

C76H74F2N14O6S3 — CID 165074499

About [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 165074499) has the molecular formula C76H74F2N14O6S3 and a molecular weight of 1413.72 g/mol. Its IUPAC name is [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
• PubChem CID: 165074499
• Molecular Formula: C76H74F2N14O6S3
• Molecular Weight: 1413.72 g/mol
• Exact Mass: 1412.50
• IUPAC Name: [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
• SMILES: COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCN(Cc2ccc(C)cc2)CC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1
• InChI: InChI=1S/C26H25FN4O2S.C26H27N5O2S.C24H22FN5O2S/c1-33-24-21(13-19(15-29-24)18-4-7-22-23(14-18)34-26(28)30-22)25(32)31-10-8-17(9-11-31)12-16-2-5-20(27)6-3-16;1-17-3-5-18(6-4-17)16-30-9-11-31(12-10-30)25(32)21-13-20(15-28-24(21)33-2)19-7-8-22-23(14-19)34-26(27)29-22;1-32-22-19(12-16(14-27-22)15-2-7-20-21(13-15)33-24(26)28-20)23(31)30-10-8-29(9-11-30)18-5-3-17(25)4-6-18/h2-7,13-15,17H,8-12H2,1H3,(H2,28,30);3-8,13-15H,9-12,16H2,1-2H3,(H2,27,29);2-7,12-14H,8-11H2,1H3,(H2,26,28)
• InChIKey: UBTFCDGAUJXXOZ-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 250.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.72
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?

The IUPAC name of [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone (CID 165074499) is [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone.

What is the SMILES notation for [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?

The canonical SMILES for [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone is COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCN(Cc2ccc(C)cc2)CC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1.

What is the InChIKey of [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?

The InChIKey is UBTFCDGAUJXXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2S.C26H27N5O2S.C24H22FN5O2S/c1-33-24-21(13-19(15-29-24)18-4-7-22-23(14-18)34-26(28)30-22)25(32)31-10-8-17(9-11-31)12-16-2-5-20(27)6-3-16;1-17-3-5-18(6-4-17)16-30-9-11-31(12-10-30)25(32)21-13-20(15-28-24(21)33-2)19-7-8-22-23(14-19)34-26(27)29-22;1-32-22-19(12-16(14-27-22)15-2-7-20-21(13-15)33-24(26)28-20)23(31)30-10-8-29(9-11-30)18-5-3-17(25)4-6-18/h2-7,13-15,17H,8-12H2,1H3,(H2,28,30);3-8,13-15H,9-12,16H2,1-2H3,(H2,27,29);2-7,12-14H,8-11H2,1H3,(H2,26,28).

What are the key properties of [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?

[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 1413.72 g/mol, XLogP of 13.45, 14 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 165074499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).