ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid

C89H79BrN32O11S5 — CID 158163665

About ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid

ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 158163665) has the molecular formula C89H79BrN32O11S5 and a molecular weight of 2013.06 g/mol. Its IUPAC name is ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
• PubChem CID: 158163665
• Molecular Formula: C89H79BrN32O11S5
• Molecular Weight: 2013.06 g/mol
• Exact Mass: 2010.44
• IUPAC Name: ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
• SMILES: CCOC(=O)c1cnc(Br)s1.CCOC(=O)c1cnc(Nc2nccc(-c3c(C)nc4ccccn34)n2)s1.Cc1nc2ccccn2c1-c1ccnc(N)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)NO)s2)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)NOC3CCCCO3)s2)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)O)s2)n1
• InChI: InChI=1S/C21H21N7O3S.C18H16N6O2S.C16H13N7O2S.C16H12N6O2S.C12H11N5.C6H6BrNO2S/c1-13-18(28-10-4-2-6-16(28)24-13)14-8-9-22-20(25-14)26-21-23-12-15(32-21)19(29)27-31-17-7-3-5-11-30-17;1-3-26-16(25)13-10-20-18(27-13)23-17-19-8-7-12(22-17)15-11(2)21-14-6-4-5-9-24(14)15;1-9-13(23-7-3-2-4-12(23)19-9)10-5-6-17-15(20-10)21-16-18-8-11(26-16)14(24)22-25;1-9-13(22-7-3-2-4-12(22)19-9)10-5-6-17-15(20-10)21-16-18-8-11(25-16)14(23)24;1-8-11(9-5-6-14-12(13)16-9)17-7-3-2-4-10(17)15-8;1-2-10-5(9)4-3-8-6(7)11-4/h2,4,6,8-10,12,17H,3,5,7,11H2,1H3,(H,27,29)(H,22,23,25,26);4-10H,3H2,1-2H3,(H,19,20,22,23);2-8,25H,1H3,(H,22,24)(H,17,18,20,21);2-8H,1H3,(H,23,24)(H,17,18,20,21);2-7H,1H3,(H2,13,14,16);3H,2H2,1H3
• InChIKey: FWOQXGNINUYQFH-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 540.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.06
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid?

The IUPAC name of ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid (CID 158163665) is ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid.

What is the SMILES notation for ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid?

The canonical SMILES for ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid is CCOC(=O)c1cnc(Br)s1.CCOC(=O)c1cnc(Nc2nccc(-c3c(C)nc4ccccn34)n2)s1.Cc1nc2ccccn2c1-c1ccnc(N)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)NO)s2)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)NOC3CCCCO3)s2)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)O)s2)n1.

What is the InChIKey of ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid?

The InChIKey is FWOQXGNINUYQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3S.C18H16N6O2S.C16H13N7O2S.C16H12N6O2S.C12H11N5.C6H6BrNO2S/c1-13-18(28-10-4-2-6-16(28)24-13)14-8-9-22-20(25-14)26-21-23-12-15(32-21)19(29)27-31-17-7-3-5-11-30-17;1-3-26-16(25)13-10-20-18(27-13)23-17-19-8-7-12(22-17)15-11(2)21-14-6-4-5-9-24(14)15;1-9-13(23-7-3-2-4-12(23)19-9)10-5-6-17-15(20-10)21-16-18-8-11(26-16)14(24)22-25;1-9-13(22-7-3-2-4-12(22)19-9)10-5-6-17-15(20-10)21-16-18-8-11(25-16)14(23)24;1-8-11(9-5-6-14-12(13)16-9)17-7-3-2-4-10(17)15-8;1-2-10-5(9)4-3-8-6(7)11-4/h2,4,6,8-10,12,17H,3,5,7,11H2,1H3,(H,27,29)(H,22,23,25,26);4-10H,3H2,1-2H3,(H,19,20,22,23);2-8,25H,1H3,(H,22,24)(H,17,18,20,21);2-8H,1H3,(H,23,24)(H,17,18,20,21);2-7H,1H3,(H2,13,14,16);3H,2H2,1H3.

What are the key properties of ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid?

ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 2013.06 g/mol, XLogP of 16.15, 22 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)-1,3-thiazole-5-carboxamide;2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 158163665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).