[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone

C94H89F2N21O8S2 — CID 167585851

About [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone

[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone (PubChem CID 167585851) has the molecular formula C94H89F2N21O8S2 and a molecular weight of 1743.01 g/mol. Its IUPAC name is [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone
• PubChem CID: 167585851
• Molecular Formula: C94H89F2N21O8S2
• Molecular Weight: 1743.01 g/mol
• Exact Mass: 1741.66
• IUPAC Name: [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone
• SMILES: CCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.Cc1ccc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.O=C(c1c(-c2ccc(F)cc2)nc2scnn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1
• InChI: InChI=1S/C25H21FN6OS.C23H23FN6OS.C23H23N5O3.C23H22N4O3/c26-19-10-8-18(9-11-19)22-23(32-25(28-22)34-16-27-32)24(33)31-13-4-7-20(31)15-30-14-12-21(29-30)17-5-2-1-3-6-17;1-2-15-12-25-22(26-13-15)27-14-16-6-5-9-29(16)21(31)20-19(17-7-3-4-8-18(17)24)28-23-30(20)10-11-32-23;1-2-16-13-24-22(25-14-16)31-15-18-9-6-10-27(18)21(29)20-19(17-7-4-3-5-8-17)26-23-28(20)11-12-30-23;1-16-9-10-19(24-14-16)30-15-18-8-5-11-26(18)22(28)21-20(17-6-3-2-4-7-17)25-23-27(21)12-13-29-23/h1-3,5-6,8-12,14,16,20H,4,7,13,15H2;3-4,7-8,10-13,16H,2,5-6,9,14H2,1H3,(H,25,26,27);3-5,7-8,11-14,18H,2,6,9-10,15H2,1H3;2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3/t20-;16-;2*18-/m0000/s1
• InChIKey: HUGKBQASJZULER-VEBBIXEWSA-N
• XLogP: 16.65
• TPSA: 302.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1743.01
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone (CID 167585851) is [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone.

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

The canonical SMILES for [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone is CCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.Cc1ccc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3occn23)nc1.O=C(c1c(-c2ccc(F)cc2)nc2scnn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1.

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

The InChIKey is HUGKBQASJZULER-VEBBIXEWSA-N. The full InChI is InChI=1S/C25H21FN6OS.C23H23FN6OS.C23H23N5O3.C23H22N4O3/c26-19-10-8-18(9-11-19)22-23(32-25(28-22)34-16-27-32)24(33)31-13-4-7-20(31)15-30-14-12-21(29-30)17-5-2-1-3-6-17;1-2-15-12-25-22(26-13-15)27-14-16-6-5-9-29(16)21(31)20-19(17-7-3-4-8-18(17)24)28-23-30(20)10-11-32-23;1-2-16-13-24-22(25-14-16)31-15-18-9-6-10-27(18)21(29)20-19(17-7-4-3-5-8-17)26-23-28(20)11-12-30-23;1-16-9-10-19(24-14-16)30-15-18-8-5-11-26(18)22(28)21-20(17-6-3-2-4-7-17)25-23-27(21)12-13-29-23/h1-3,5-6,8-12,14,16,20H,4,7,13,15H2;3-4,7-8,10-13,16H,2,5-6,9,14H2,1H3,(H,25,26,27);3-5,7-8,11-14,18H,2,6,9-10,15H2,1H3;2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3/t20-;16-;2*18-/m0000/s1.

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

[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone has a molecular weight of 1743.01 g/mol, XLogP of 16.65, 22 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone;[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)methanone is sourced from PubChem (CID 167585851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).