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

C43H46F2N14O5S2 — CID 159698913

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

5-fluoro-2-(methylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-benzothiazole-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 159698913) has the molecular formula C43H46F2N14O5S2 and a molecular weight of 941.06 g/mol. Its IUPAC name is 5-fluoro-2-(methylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-benzothiazole-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-2-(methylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-benzothiazole-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• PubChem CID: 159698913
• Molecular Formula: C43H46F2N14O5S2
• Molecular Weight: 941.06 g/mol
• Exact Mass: 940.32
• IUPAC Name: 5-fluoro-2-(methylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-benzothiazole-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• SMILES: CC(C)n1cnnc1-c1cccc(N)n1.CN(C(=O)OC(C)(C)C)c1nc2cc(F)c(C(=O)O)cc2s1.CNc1nc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2s1
• InChI: InChI=1S/C19H18FN7OS.C14H15FN2O4S.C10H13N5/c1-10(2)27-9-22-26-17(27)13-5-4-6-16(23-13)25-18(28)11-7-15-14(8-12(11)20)24-19(21-3)29-15;1-14(2,3)21-13(20)17(4)12-16-9-6-8(15)7(11(18)19)5-10(9)22-12;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h4-10H,1-3H3,(H,21,24)(H,23,25,28);5-6H,1-4H3,(H,18,19);3-7H,1-2H3,(H2,11,13)
• InChIKey: MXJFISKBANZYIG-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 246.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	941.06
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-2-(methylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-benzothiazole-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 159698913) is 5-fluoro-2-(methylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-benzothiazole-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

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

The canonical SMILES for 5-fluoro-2-(methylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-benzothiazole-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is CC(C)n1cnnc1-c1cccc(N)n1.CN(C(=O)OC(C)(C)C)c1nc2cc(F)c(C(=O)O)cc2s1.CNc1nc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2s1.

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

The InChIKey is MXJFISKBANZYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7OS.C14H15FN2O4S.C10H13N5/c1-10(2)27-9-22-26-17(27)13-5-4-6-16(23-13)25-18(28)11-7-15-14(8-12(11)20)24-19(21-3)29-15;1-14(2,3)21-13(20)17(4)12-16-9-6-8(15)7(11(18)19)5-10(9)22-12;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h4-10H,1-3H3,(H,21,24)(H,23,25,28);5-6H,1-4H3,(H,18,19);3-7H,1-2H3,(H2,11,13).

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

5-fluoro-2-(methylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-benzothiazole-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 941.06 g/mol, XLogP of 8.97, 9 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-(methylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide;5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-benzothiazole-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 159698913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).