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

C51H64N12O3S2 — CID 167710906

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

deuterium monohydride;5-ethyl-N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;methane;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 167710906) has the molecular formula C51H64N12O3S2 and a molecular weight of 958.29 g/mol. Its IUPAC name is deuterium monohydride;5-ethyl-N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;methane;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: deuterium monohydride;5-ethyl-N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;methane;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
• PubChem CID: 167710906
• Molecular Formula: C51H64N12O3S2
• Molecular Weight: 958.29 g/mol
• Exact Mass: 957.47
• IUPAC Name: deuterium monohydride;5-ethyl-N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;methane;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
• SMILES: C.CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3sccn23)nc1.CCc1cnc(NC[C@H]2NCCC[C@H]2C)nc1.O=C(O)c1c(-c2ccccc2)nc2sccn12.[H][2H]
• InChI: InChI=1S/C25H28N6OS.C13H22N4.C12H8N2O2S.CH4.H2/c1-3-18-14-26-24(27-15-18)28-16-20-17(2)8-7-11-30(20)23(32)22-21(19-9-5-4-6-10-19)29-25-31(22)12-13-33-25;1-3-11-7-15-13(16-8-11)17-9-12-10(2)5-4-6-14-12;15-11(16)10-9(8-4-2-1-3-5-8)13-12-14(10)6-7-17-12;;/h4-6,9-10,12-15,17,20H,3,7-8,11,16H2,1-2H3,(H,26,27,28);7-8,10,12,14H,3-6,9H2,1-2H3,(H,15,16,17);1-7H,(H,15,16);1H4;1H/t17-,20-;10-,12-;;;/m11.../s1/i;;;;1+1
• InChIKey: ZVBFSNMASWRUGH-HANYABBJSA-N
• XLogP: 10.25
• TPSA: 179.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	958.29
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of deuterium monohydride;5-ethyl-N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;methane;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 167710906) is deuterium monohydride;5-ethyl-N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;methane;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

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

The canonical SMILES for deuterium monohydride;5-ethyl-N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;methane;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is C.CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3sccn23)nc1.CCc1cnc(NC[C@H]2NCCC[C@H]2C)nc1.O=C(O)c1c(-c2ccccc2)nc2sccn12.[H][2H].

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

The InChIKey is ZVBFSNMASWRUGH-HANYABBJSA-N. The full InChI is InChI=1S/C25H28N6OS.C13H22N4.C12H8N2O2S.CH4.H2/c1-3-18-14-26-24(27-15-18)28-16-20-17(2)8-7-11-30(20)23(32)22-21(19-9-5-4-6-10-19)29-25-31(22)12-13-33-25;1-3-11-7-15-13(16-8-11)17-9-12-10(2)5-4-6-14-12;15-11(16)10-9(8-4-2-1-3-5-8)13-12-14(10)6-7-17-12;;/h4-6,9-10,12-15,17,20H,3,7-8,11,16H2,1-2H3,(H,26,27,28);7-8,10,12,14H,3-6,9H2,1-2H3,(H,15,16,17);1-7H,(H,15,16);1H4;1H/t17-,20-;10-,12-;;;/m11.../s1/i;;;;1+1.

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

deuterium monohydride;5-ethyl-N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;methane;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 958.29 g/mol, XLogP of 10.25, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for deuterium monohydride;5-ethyl-N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;methane;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 167710906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).