[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone

C98H103F5N24O5S3 — CID 167707837

About [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone

[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone (PubChem CID 167707837) has the molecular formula C98H103F5N24O5S3 and a molecular weight of 1888.26 g/mol. Its IUPAC name is [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone
• PubChem CID: 167707837
• Molecular Formula: C98H103F5N24O5S3
• Molecular Weight: 1888.26 g/mol
• Exact Mass: 1886.76
• IUPAC Name: [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone
• SMILES: CCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccc(F)cc3)nc3sc(C)nn23)nc1.CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3sccn23)nc1.Cc1ccc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.Cc1nn2c(C(=O)N3CCC[C@@H](C)[C@H]3CNc3ccc(C(F)(F)F)cn3)c(-c3ccc(F)cc3)nc2s1
• InChI: InChI=1S/C25H24F4N6OS.C25H28N6OS.C25H27N5O2.C23H24FN7OS/c1-14-4-3-11-34(19(14)13-31-20-10-7-17(12-30-20)25(27,28)29)23(36)22-21(16-5-8-18(26)9-6-16)32-24-35(22)33-15(2)37-24;1-3-18-14-26-24(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;1-17-10-11-21(26-15-17)27-16-20-18(2)7-6-12-29(20)24(31)23-22(19-8-4-3-5-9-19)28-25-30(23)13-14-32-25;1-3-15-11-25-22(26-12-15)27-13-18-5-4-10-30(18)21(32)20-19(16-6-8-17(24)9-7-16)28-23-31(20)29-14(2)33-23/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,30,31);4-6,9-10,12-15,17,20H,3,7-8,11,16H2,1-2H3,(H,26,27,28);3-5,8-11,13-15,18,20H,6-7,12,16H2,1-2H3,(H,26,27);6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,25,26,27)/t14-,19-;17-,20-;18-,20-;18-/m1110/s1
• InChIKey: ZJITTXPWPAWPRD-RJHXLIKXSA-N
• XLogP: 19.06
• TPSA: 314.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1888.26
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone?

The IUPAC name of [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone (CID 167707837) is [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone.

What is the SMILES notation for [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone?

The canonical SMILES for [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone is CCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccc(F)cc3)nc3sc(C)nn23)nc1.CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3sccn23)nc1.Cc1ccc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.Cc1nn2c(C(=O)N3CCC[C@@H](C)[C@H]3CNc3ccc(C(F)(F)F)cn3)c(-c3ccc(F)cc3)nc2s1.

What is the InChIKey of [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone?

The InChIKey is ZJITTXPWPAWPRD-RJHXLIKXSA-N. The full InChI is InChI=1S/C25H24F4N6OS.C25H28N6OS.C25H27N5O2.C23H24FN7OS/c1-14-4-3-11-34(19(14)13-31-20-10-7-17(12-30-20)25(27,28)29)23(36)22-21(16-5-8-18(26)9-6-16)32-24-35(22)33-15(2)37-24;1-3-18-14-26-24(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;1-17-10-11-21(26-15-17)27-16-20-18(2)7-6-12-29(20)24(31)23-22(19-8-4-3-5-9-19)28-25-30(23)13-14-32-25;1-3-15-11-25-22(26-12-15)27-13-18-5-4-10-30(18)21(32)20-19(16-6-8-17(24)9-7-16)28-23-31(20)29-14(2)33-23/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,30,31);4-6,9-10,12-15,17,20H,3,7-8,11,16H2,1-2H3,(H,26,27,28);3-5,8-11,13-15,18,20H,6-7,12,16H2,1-2H3,(H,26,27);6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,25,26,27)/t14-,19-;17-,20-;18-,20-;18-/m1110/s1.

What are the key properties of [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone?

[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone has a molecular weight of 1888.26 g/mol, XLogP of 19.06, 22 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone is sourced from PubChem (CID 167707837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).