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

C72H67F3N16O3S3 — CID 167697617

IUPAC[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.Cc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.O=C(c1c(-c2ccccc2F)nc2sccn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C26H22FN5OS.C23H23FN6OS.C23H22FN5OS/c27-21-11-5-4-10-20(21)23-24(32-15-16-34-26(32)28-23)25(33)31-13-6-9-19(31)17-30-14-12-22(29-30)18-7-2-1-3-8-18;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;1-15-8-9-19(25-13-15)26-14-16-5-4-10-28(16)22(30)21-20(17-6-2-3-7-18(17)24)27-23-29(21)11-12-31-23/h1-5,7-8,10-12,14-16,19H,6,9,13,17H2;3-4,7-8,10-13,16H,2,5-6,9,14H2,1H3,(H,25,26,27);2-3,6-9,11-13,16H,4-5,10,14H2,1H3,(H,25,26)/t19-;2*16-/m000/s1
InChIKeyXXAPBGGTIAQKKE-DPTSWJOUSA-N
MW1357.63 g/mol
LogP14.26
Rot. Bonds16

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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 167697617) has the molecular formula C72H67F3N16O3S3 and a molecular weight of 1357.63 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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID167697617
Molecular FormulaC72H67F3N16O3S3
Molecular Weight1357.63 g/mol
Exact Mass1356.47
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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.Cc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.O=C(c1c(-c2ccccc2F)nc2sccn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C26H22FN5OS.C23H23FN6OS.C23H22FN5OS/c27-21-11-5-4-10-20(21)23-24(32-15-16-34-26(32)28-23)25(33)31-13-6-9-19(31)17-30-14-12-22(29-30)18-7-2-1-3-8-18;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;1-15-8-9-19(25-13-15)26-14-16-5-4-10-28(16)22(30)21-20(17-6-2-3-7-18(17)24)27-23-29(21)11-12-31-23/h1-5,7-8,10-12,14-16,19H,6,9,13,17H2;3-4,7-8,10-13,16H,2,5-6,9,14H2,1H3,(H,25,26,27);2-3,6-9,11-13,16H,4-5,10,14H2,1H3,(H,25,26)/t19-;2*16-/m000/s1
InChIKeyXXAPBGGTIAQKKE-DPTSWJOUSA-N
XLogP14.26
TPSA193.38 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001357.63
LogP ≤ 514.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469619
(2S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768902
(2R)-1-(6-methylimidazo[2,1-b]thiazole-5-carbonyl)-N-[4-[(E)-2-[4-[[(2R)-1-(6-methylimidazo[2,1-b]thiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]pyrrolidine-2-carboxamide
CID 71597115
N-[[(2S)-1-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25254886
N-[[(2S)-1-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25254887
N-[[(2S)-1-[2,5-bis(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25254888
N-[[(2S)-1-[2-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25255051
N-[[(2S)-1-[2-(3,4-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25255052
N-[[(2S)-1-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25255437
N-[[(2S)-1-[2,5-bis(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25255438
N-[[(2S)-1-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25255538
N-[[(2S)-1-[5-(4-fluorophenyl)-2-phenyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 68473678

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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 167697617) 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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is CCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.Cc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.O=C(c1c(-c2ccccc2F)nc2sccn12)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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is XXAPBGGTIAQKKE-DPTSWJOUSA-N. The full InChI is InChI=1S/C26H22FN5OS.C23H23FN6OS.C23H22FN5OS/c27-21-11-5-4-10-20(21)23-24(32-15-16-34-26(32)28-23)25(33)31-13-6-9-19(31)17-30-14-12-22(29-30)18-7-2-1-3-8-18;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;1-15-8-9-19(25-13-15)26-14-16-5-4-10-28(16)22(30)21-20(17-6-2-3-7-18(17)24)27-23-29(21)11-12-31-23/h1-5,7-8,10-12,14-16,19H,6,9,13,17H2;3-4,7-8,10-13,16H,2,5-6,9,14H2,1H3,(H,25,26,27);2-3,6-9,11-13,16H,4-5,10,14H2,1H3,(H,25,26)/t19-;2*16-/m000/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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 1357.63 g/mol, XLogP of 14.26, 16 rotatable bonds, 2 hydrogen bond donors, and 19 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;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167697617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).