2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole

C89H97FN20O13S4 — CID 164960515

About 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole (PubChem CID 164960515) has the molecular formula C89H97FN20O13S4 and a molecular weight of 1803.15 g/mol. Its IUPAC name is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
• PubChem CID: 164960515
• Molecular Formula: C89H97FN20O13S4
• Molecular Weight: 1803.15 g/mol
• Exact Mass: 1801.65
• IUPAC Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
• SMILES: Cc1nc2cc(C3CCC(C)CN3)ccc2s1.Cc1nc2cc(C3CCC(C)CN3C(=O)C(=O)Nc3cncc(C(N)=O)c3)ccc2s1.Cc1nc2cc([C@@H]3CC[C@@H](C)CN3C(=O)C(=O)Nc3cncc(C(N)=O)c3)ccc2s1.Cc1nc2cc([C@H]3CC[C@H](C)CN3C(=O)C(=O)Nc3cncc(C(N)=O)c3)ccc2s1.NC(=O)c1cncc(NC(=O)C(=O)O)c1.[2H]CF
• InChI: InChI=1S/3C22H23N5O3S.C14H18N2S.C8H7N3O4.CH3F/c3*1-12-3-5-18(14-4-6-19-17(8-14)25-13(2)31-19)27(11-12)22(30)21(29)26-16-7-15(20(23)28)9-24-10-16;1-9-3-5-12(15-8-9)11-4-6-14-13(7-11)16-10(2)17-14;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15;1-2/h3*4,6-10,12,18H,3,5,11H2,1-2H3,(H2,23,28)(H,26,29);4,6-7,9,12,15H,3,5,8H2,1-2H3;1-3H,(H2,9,12)(H,11,13)(H,14,15);1H3/t2*12-,18+;;;;/m10..../s1/i;;;;;1D
• InChIKey: BTUMAURRGCPXKU-APQFDAGCSA-N
• XLogP: 12.57
• TPSA: 502.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1803.15
LogP ≤ 5	12.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?

The IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole (CID 164960515) is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole.

What is the SMILES notation for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?

The canonical SMILES for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole is Cc1nc2cc(C3CCC(C)CN3)ccc2s1.Cc1nc2cc(C3CCC(C)CN3C(=O)C(=O)Nc3cncc(C(N)=O)c3)ccc2s1.Cc1nc2cc([C@@H]3CC[C@@H](C)CN3C(=O)C(=O)Nc3cncc(C(N)=O)c3)ccc2s1.Cc1nc2cc([C@H]3CC[C@H](C)CN3C(=O)C(=O)Nc3cncc(C(N)=O)c3)ccc2s1.NC(=O)c1cncc(NC(=O)C(=O)O)c1.[2H]CF.

What is the InChIKey of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?

The InChIKey is BTUMAURRGCPXKU-APQFDAGCSA-N. The full InChI is InChI=1S/3C22H23N5O3S.C14H18N2S.C8H7N3O4.CH3F/c3*1-12-3-5-18(14-4-6-19-17(8-14)25-13(2)31-19)27(11-12)22(30)21(29)26-16-7-15(20(23)28)9-24-10-16;1-9-3-5-12(15-8-9)11-4-6-14-13(7-11)16-10(2)17-14;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15;1-2/h3*4,6-10,12,18H,3,5,11H2,1-2H3,(H2,23,28)(H,26,29);4,6-7,9,12,15H,3,5,8H2,1-2H3;1-3H,(H2,9,12)(H,11,13)(H,14,15);1H3/t2*12-,18+;;;;/m10..../s1/i;;;;;1D.

What are the key properties of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole has a molecular weight of 1803.15 g/mol, XLogP of 12.57, 12 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;deuterio(fluoro)methane;5-[[2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 164960515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).