N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
C109H93F3N18O13S3 — CID 161202651
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCNC(=O)c1csc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1.O=C(NCCN1CCOCC1)c1csc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1.O=C(Nc1cccnc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ccncc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nc(C(F)(F)F)cs1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C26H27N5O4S.C21H18N4O3S.2C21H17N3O2.C20H14F3N3O2S/c32-23(27-10-11-30-12-14-35-15-13-30)21-17-36-26(28-21)29-24(33)22(18-6-2-1-3-7-18)31-16-19-8-4-5-9-20(19)25(31)34;1-22-18(26)16-12-29-21(23-16)24-19(27)17(13-7-3-2-4-8-13)25-11-14-9-5-6-10-15(14)20(25)28;25-20(23-17-10-6-12-22-13-17)19(15-7-2-1-3-8-15)24-14-16-9-4-5-11-18(16)21(24)26;25-20(23-17-10-12-22-13-11-17)19(15-6-2-1-3-7-15)24-14-16-8-4-5-9-18(16)21(24)26;21-20(22,23)15-11-29-19(24-15)25-17(27)16(12-6-2-1-3-7-12)26-10-13-8-4-5-9-14(13)18(26)28/h1-9,17,22H,10-16H2,(H,27,32)(H,28,29,33);2-10,12,17H,11H2,1H3,(H,22,26)(H,23,24,27);1-13,19H,14H2,(H,23,25);1-13,19H,14H2,(H,22,23,25);1-9,11,16H,10H2,(H,24,25,27)/t22-;17-;2*19-;16-/m11111/s1
InChIKeyUVEMHLQCXIWOGJ-RLXJJBKVSA-N
MW2016.25 g/mol
LogP16.71
Rot. Bonds25
About N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 161202651) has the molecular formula C109H93F3N18O13S3 and a molecular weight of 2016.25 g/mol. Its IUPAC name is N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
Molecular Properties
| Compound Name | N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide |
|---|---|
| PubChem CID | 161202651 |
| Molecular Formula | C109H93F3N18O13S3 |
| Molecular Weight | 2016.25 g/mol |
| Exact Mass | 2014.63 |
| IUPAC Name | N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide |
| SMILES | CNC(=O)c1csc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1.O=C(NCCN1CCOCC1)c1csc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1.O=C(Nc1cccnc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ccncc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nc(C(F)(F)F)cs1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O |
| InChI | InChI=1S/C26H27N5O4S.C21H18N4O3S.2C21H17N3O2.C20H14F3N3O2S/c32-23(27-10-11-30-12-14-35-15-13-30)21-17-36-26(28-21)29-24(33)22(18-6-2-1-3-7-18)31-16-19-8-4-5-9-20(19)25(31)34;1-22-18(26)16-12-29-21(23-16)24-19(27)17(13-7-3-2-4-8-13)25-11-14-9-5-6-10-15(14)20(25)28;25-20(23-17-10-6-12-22-13-17)19(15-7-2-1-3-8-15)24-14-16-9-4-5-11-18(16)21(24)26;25-20(23-17-10-12-22-13-11-17)19(15-6-2-1-3-7-15)24-14-16-8-4-5-9-18(16)21(24)26;21-20(22,23)15-11-29-19(24-15)25-17(27)16(12-6-2-1-3-7-12)26-10-13-8-4-5-9-14(13)18(26)28/h1-9,17,22H,10-16H2,(H,27,32)(H,28,29,33);2-10,12,17H,11H2,1H3,(H,22,26)(H,23,24,27);1-13,19H,14H2,(H,23,25);1-13,19H,14H2,(H,22,23,25);1-9,11,16H,10H2,(H,24,25,27)/t22-;17-;2*19-;16-/m11111/s1 |
| InChIKey | UVEMHLQCXIWOGJ-RLXJJBKVSA-N |
| XLogP | 16.71 |
| TPSA | 382.17 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 146 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2016.25 |
| LogP ≤ 5 | 16.71 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 22 |
Frequently Asked Questions
What is the IUPAC name of N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 161202651) is N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is CNC(=O)c1csc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1.O=C(NCCN1CCOCC1)c1csc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1.O=C(Nc1cccnc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ccncc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nc(C(F)(F)F)cs1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UVEMHLQCXIWOGJ-RLXJJBKVSA-N. The full InChI is InChI=1S/C26H27N5O4S.C21H18N4O3S.2C21H17N3O2.C20H14F3N3O2S/c32-23(27-10-11-30-12-14-35-15-13-30)21-17-36-26(28-21)29-24(33)22(18-6-2-1-3-7-18)31-16-19-8-4-5-9-20(19)25(31)34;1-22-18(26)16-12-29-21(23-16)24-19(27)17(13-7-3-2-4-8-13)25-11-14-9-5-6-10-15(14)20(25)28;25-20(23-17-10-6-12-22-13-17)19(15-7-2-1-3-8-15)24-14-16-9-4-5-11-18(16)21(24)26;25-20(23-17-10-12-22-13-11-17)19(15-6-2-1-3-7-15)24-14-16-8-4-5-9-18(16)21(24)26;21-20(22,23)15-11-29-19(24-15)25-17(27)16(12-6-2-1-3-7-12)26-10-13-8-4-5-9-14(13)18(26)28/h1-9,17,22H,10-16H2,(H,27,32)(H,28,29,33);2-10,12,17H,11H2,1H3,(H,22,26)(H,23,24,27);1-13,19H,14H2,(H,23,25);1-13,19H,14H2,(H,22,23,25);1-9,11,16H,10H2,(H,24,25,27)/t22-;17-;2*19-;16-/m11111/s1.
What are the key properties of N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 2016.25 g/mol, XLogP of 16.71, 25 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 161202651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161202651 — identifiers, structure, computed properties (public domain)
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