deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C51H56F6N10O3S2 — CID 167548372

About deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 167548372) has the molecular formula C51H56F6N10O3S2 and a molecular weight of 1036.20 g/mol. Its IUPAC name is deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
• PubChem CID: 167548372
• Molecular Formula: C51H56F6N10O3S2
• Molecular Weight: 1036.20 g/mol
• Exact Mass: 1035.39
• IUPAC Name: deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
• SMILES: C.C[C@@H]1CCCN(C(=O)c2c(-c3ccccc3)nc3sccn23)[C@@H]1CNc1ccc(C(F)(F)F)cn1.C[C@@H]1CCCN[C@@H]1CNc1ccc(C(F)(F)F)cn1.O=C(O)c1c(-c2ccccc2)nc2sccn12.[H][2H]
• InChI: InChI=1S/C25H24F3N5OS.C13H18F3N3.C12H8N2O2S.CH4.H2/c1-16-6-5-11-32(19(16)15-30-20-10-9-18(14-29-20)25(26,27)28)23(34)22-21(17-7-3-2-4-8-17)31-24-33(22)12-13-35-24;1-9-3-2-6-17-11(9)8-19-12-5-4-10(7-18-12)13(14,15)16;15-11(16)10-9(8-4-2-1-3-5-8)13-12-14(10)6-7-17-12;;/h2-4,7-10,12-14,16,19H,5-6,11,15H2,1H3,(H,29,30);4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19);1-7H,(H,15,16);1H4;1H/t16-,19-;9-,11-;;;/m11.../s1/i;;;;1+1
• InChIKey: CBYXZLWCHFJMQZ-NHPWPPEUSA-N
• XLogP: 12.37
• TPSA: 154.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1036.20
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?

The IUPAC name of deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 167548372) is deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

What is the SMILES notation for deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?

The canonical SMILES for deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is C.C[C@@H]1CCCN(C(=O)c2c(-c3ccccc3)nc3sccn23)[C@@H]1CNc1ccc(C(F)(F)F)cn1.C[C@@H]1CCCN[C@@H]1CNc1ccc(C(F)(F)F)cn1.O=C(O)c1c(-c2ccccc2)nc2sccn12.[H][2H].

What is the InChIKey of deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?

The InChIKey is CBYXZLWCHFJMQZ-NHPWPPEUSA-N. The full InChI is InChI=1S/C25H24F3N5OS.C13H18F3N3.C12H8N2O2S.CH4.H2/c1-16-6-5-11-32(19(16)15-30-20-10-9-18(14-29-20)25(26,27)28)23(34)22-21(17-7-3-2-4-8-17)31-24-33(22)12-13-35-24;1-9-3-2-6-17-11(9)8-19-12-5-4-10(7-18-12)13(14,15)16;15-11(16)10-9(8-4-2-1-3-5-8)13-12-14(10)6-7-17-12;;/h2-4,7-10,12-14,16,19H,5-6,11,15H2,1H3,(H,29,30);4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19);1-7H,(H,15,16);1H4;1H/t16-,19-;9-,11-;;;/m11.../s1/i;;;;1+1.

What are the key properties of deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?

deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 1036.20 g/mol, XLogP of 12.37, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 167548372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).