About 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 167489406) has the molecular formula C24H20F3N3O2S2
and a molecular weight of 503.57 g/mol. Its IUPAC name is 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.
Molecular Properties
| Compound Name | 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid |
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| PubChem CID | 167489406 |
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| Molecular Formula | C24H20F3N3O2S2 |
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| Molecular Weight | 503.57 g/mol |
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| Exact Mass | 503.09 |
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| IUPAC Name | 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid |
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| SMILES | CC(C)Cc1sc(Nc2ncc(C(F)(F)F)cc2C(=O)O)nc1-c1ccc(-c2ccccc2)s1 |
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| InChI | InChI=1S/C24H20F3N3O2S2/c1-13(2)10-19-20(18-9-8-17(33-18)14-6-4-3-5-7-14)29-23(34-19)30-21-16(22(31)32)11-15(12-28-21)24(25,26)27/h3-9,11-13H,10H2,1-2H3,(H,31,32)(H,28,29,30) |
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| InChIKey | ICHODONTXMCFJN-UHFFFAOYSA-N |
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| XLogP | 7.59 |
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| TPSA | 75.11 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 503.57 |
| LogP ≤ 5 | 7.59 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 167489406) is 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is CC(C)Cc1sc(Nc2ncc(C(F)(F)F)cc2C(=O)O)nc1-c1ccc(-c2ccccc2)s1.
What is the InChIKey of 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is ICHODONTXMCFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2S2/c1-13(2)10-19-20(18-9-8-17(33-18)14-6-4-3-5-7-14)29-23(34-19)30-21-16(22(31)32)11-15(12-28-21)24(25,26)27/h3-9,11-13H,10H2,1-2H3,(H,31,32)(H,28,29,30).
What are the key properties of 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 503.57 g/mol, XLogP of 7.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylpropyl)-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 167489406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).