methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

C29H24N12O3S4 — CID 158132089

About methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (PubChem CID 158132089) has the molecular formula C29H24N12O3S4 and a molecular weight of 716.86 g/mol. Its IUPAC name is methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

Molecular Properties

• Compound Name: methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
• PubChem CID: 158132089
• Molecular Formula: C29H24N12O3S4
• Molecular Weight: 716.86 g/mol
• Exact Mass: 716.10
• IUPAC Name: methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
• SMILES: COC(=O)c1cc(Nc2nc(C)cn3c(-c4nccs4)cnc23)sn1.Cc1cn2c(-c3nccs3)cnc2c(Nc2cc(CO)ns2)n1
• InChI: InChI=1S/C15H12N6O2S2.C14H12N6OS2/c1-8-7-21-10(14-16-3-4-24-14)6-17-13(21)12(18-8)19-11-5-9(20-25-11)15(22)23-2;1-8-6-20-10(14-15-2-3-22-14)5-16-13(20)12(17-8)18-11-4-9(7-21)19-23-11/h3-7H,1-2H3,(H,18,19);2-6,21H,7H2,1H3,(H,17,18)
• InChIKey: FSXAUWIDOIHRHS-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 182.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	716.86
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The IUPAC name of methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (CID 158132089) is methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

What is the SMILES notation for methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The canonical SMILES for methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is COC(=O)c1cc(Nc2nc(C)cn3c(-c4nccs4)cnc23)sn1.Cc1cn2c(-c3nccs3)cnc2c(Nc2cc(CO)ns2)n1.

What is the InChIKey of methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The InChIKey is FSXAUWIDOIHRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S2.C14H12N6OS2/c1-8-7-21-10(14-16-3-4-24-14)6-17-13(21)12(18-8)19-11-5-9(20-25-11)15(22)23-2;1-8-6-20-10(14-15-2-3-22-14)5-16-13(20)12(17-8)18-11-4-9(7-21)19-23-11/h3-7H,1-2H3,(H,18,19);2-6,21H,7H2,1H3,(H,17,18).

What are the key properties of methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol has a molecular weight of 716.86 g/mol, XLogP of 6.00, 8 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 158132089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).