2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid

C52H56N14O9S2 — CID 158208890

About 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid

2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid (PubChem CID 158208890) has the molecular formula C52H56N14O9S2 and a molecular weight of 1085.24 g/mol. Its IUPAC name is 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid
• PubChem CID: 158208890
• Molecular Formula: C52H56N14O9S2
• Molecular Weight: 1085.24 g/mol
• Exact Mass: 1084.38
• IUPAC Name: 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid
• SMILES: C.C.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)NCCO)nc5C)cn34)c2)no1.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)O)nc5C)cn34)c2)no1.NCCO
• InChI: InChI=1S/C25H23N7O4S.C23H18N6O4S.C2H7NO.2CH4/c1-13-4-5-16(22-29-15(3)36-31-22)10-18(13)30-23(34)19-11-27-20-7-6-17(12-32(19)20)21-14(2)28-25(37-21)24(35)26-8-9-33;1-11-4-5-14(20-26-13(3)33-28-20)8-16(11)27-21(30)17-9-24-18-7-6-15(10-29(17)18)19-12(2)25-22(34-19)23(31)32;3-1-2-4;;/h4-7,10-12,33H,8-9H2,1-3H3,(H,26,35)(H,30,34);4-10H,1-3H3,(H,27,30)(H,31,32);4H,1-3H2;2*1H4
• InChIKey: GBVCLKMAYWLANN-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 329.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1085.24
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid?

The IUPAC name of 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid (CID 158208890) is 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid.

What is the SMILES notation for 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid?

The canonical SMILES for 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid is C.C.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)NCCO)nc5C)cn34)c2)no1.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)O)nc5C)cn34)c2)no1.NCCO.

What is the InChIKey of 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid?

The InChIKey is GBVCLKMAYWLANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O4S.C23H18N6O4S.C2H7NO.2CH4/c1-13-4-5-16(22-29-15(3)36-31-22)10-18(13)30-23(34)19-11-27-20-7-6-17(12-32(19)20)21-14(2)28-25(37-21)24(35)26-8-9-33;1-11-4-5-14(20-26-13(3)33-28-20)8-16(11)27-21(30)17-9-24-18-7-6-15(10-29(17)18)19-12(2)25-22(34-19)23(31)32;3-1-2-4;;/h4-7,10-12,33H,8-9H2,1-3H3,(H,26,35)(H,30,34);4-10H,1-3H3,(H,27,30)(H,31,32);4H,1-3H2;2*1H4.

What are the key properties of 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid?

2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 1085.24 g/mol, XLogP of 8.00, 13 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanol;N-(2-hydroxyethyl)-4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide;methane;4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 158208890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).