5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

C46H50F2N14O3S2 — CID 160573608

About 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 160573608) has the molecular formula C46H50F2N14O3S2 and a molecular weight of 949.13 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• PubChem CID: 160573608
• Molecular Formula: C46H50F2N14O3S2
• Molecular Weight: 949.13 g/mol
• Exact Mass: 948.36
• IUPAC Name: 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• SMILES: CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3sc(N4CCCCC4)nc3cc2F)n1.O=C(O)c1cc2sc(N3CCCCC3)nc2cc1F
• InChI: InChI=1S/C23H24FN7OS.C13H13FN2O2S.C10H13N5/c1-14(2)31-13-25-29-21(31)17-7-6-8-20(26-17)28-22(32)15-11-19-18(12-16(15)24)27-23(33-19)30-9-4-3-5-10-30;14-9-7-10-11(6-8(9)12(17)18)19-13(15-10)16-4-2-1-3-5-16;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,26,28,32);6-7H,1-5H2,(H,17,18);3-7H,1-2H3,(H2,11,13)
• InChIKey: RAVYLKCKPPKPSK-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 211.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.13
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The IUPAC name of 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 160573608) is 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

What is the SMILES notation for 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The canonical SMILES for 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3sc(N4CCCCC4)nc3cc2F)n1.O=C(O)c1cc2sc(N3CCCCC3)nc2cc1F.

What is the InChIKey of 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The InChIKey is RAVYLKCKPPKPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7OS.C13H13FN2O2S.C10H13N5/c1-14(2)31-13-25-29-21(31)17-7-6-8-20(26-17)28-22(32)15-11-19-18(12-16(15)24)27-23(33-19)30-9-4-3-5-10-30;14-9-7-10-11(6-8(9)12(17)18)19-13(15-10)16-4-2-1-3-5-16;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,26,28,32);6-7H,1-5H2,(H,17,18);3-7H,1-2H3,(H2,11,13).

What are the key properties of 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 949.13 g/mol, XLogP of 9.54, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-piperidin-1-yl-1,3-benzothiazole-6-carboxylic acid;5-fluoro-2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 160573608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).