4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate

C67H51F4N25O5S4 — CID 159273516

About 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate

4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate (PubChem CID 159273516) has the molecular formula C67H51F4N25O5S4 and a molecular weight of 1490.57 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate
• PubChem CID: 159273516
• Molecular Formula: C67H51F4N25O5S4
• Molecular Weight: 1490.57 g/mol
• Exact Mass: 1489.33
• IUPAC Name: 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate
• SMILES: COC(=O)N(C)c1c(N)nc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)nc1N.Fc1ccccc1Cn1nc(-c2cocn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1cocn1.NC(=O)c1ccnc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)c1
• InChI: InChI=1S/C19H18FN9O2S.C18H13FN6OS.2C15H10FN5OS/c1-28(19(30)31-2)12-13(21)24-15(25-14(12)22)16-26-17(18-23-7-8-32-18)29(27-16)9-10-5-3-4-6-11(10)20;19-13-4-2-1-3-12(13)10-25-17(18-22-7-8-27-18)23-16(24-25)14-9-11(15(20)26)5-6-21-14;16-11-4-2-1-3-10(11)7-21-14(12-8-22-9-18-12)19-13(20-21)15-17-5-6-23-15;16-11-4-2-1-3-10(11)7-21-14(15-17-5-6-23-15)19-13(20-21)12-8-22-9-18-12/h3-8H,9H2,1-2H3,(H4,21,22,24,25);1-9H,10H2,(H2,20,26);2*1-6,8-9H,7H2
• InChIKey: KXZUFGGRJUSLPZ-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 389.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.57
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate?

The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate (CID 159273516) is 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate.

What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate?

The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate is COC(=O)N(C)c1c(N)nc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)nc1N.Fc1ccccc1Cn1nc(-c2cocn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1cocn1.NC(=O)c1ccnc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)c1.

What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate?

The InChIKey is KXZUFGGRJUSLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN9O2S.C18H13FN6OS.2C15H10FN5OS/c1-28(19(30)31-2)12-13(21)24-15(25-14(12)22)16-26-17(18-23-7-8-32-18)29(27-16)9-10-5-3-4-6-11(10)20;19-13-4-2-1-3-12(13)10-25-17(18-22-7-8-27-18)23-16(24-25)14-9-11(15(20)26)5-6-21-14;16-11-4-2-1-3-10(11)7-21-14(12-8-22-9-18-12)19-13(20-21)15-17-5-6-23-15;16-11-4-2-1-3-10(11)7-21-14(15-17-5-6-23-15)19-13(20-21)12-8-22-9-18-12/h3-8H,9H2,1-2H3,(H4,21,22,24,25);1-9H,10H2,(H2,20,26);2*1-6,8-9H,7H2.

What are the key properties of 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate?

4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate has a molecular weight of 1490.57 g/mol, XLogP of 11.65, 18 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate is sourced from PubChem (CID 159273516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).