2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one

C31H20Cl2N8O4S2 — CID 157341190

About 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one

2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one (PubChem CID 157341190) has the molecular formula C31H20Cl2N8O4S2 and a molecular weight of 703.59 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one
• PubChem CID: 157341190
• Molecular Formula: C31H20Cl2N8O4S2
• Molecular Weight: 703.59 g/mol
• Exact Mass: 702.04
• IUPAC Name: 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one
• SMILES: COc1nccc2sc(Cc3nnc(-c4ccc(Cl)cc4)o3)nc12.O=c1[nH]ccc2sc(Cc3nnc(-c4ccc(Cl)cc4)o3)nc12
• InChI: InChI=1S/C16H11ClN4O2S.C15H9ClN4O2S/c1-22-16-14-11(6-7-18-16)24-13(19-14)8-12-20-21-15(23-12)9-2-4-10(17)5-3-9;16-9-3-1-8(2-4-9)15-20-19-11(22-15)7-12-18-13-10(23-12)5-6-17-14(13)21/h2-7H,8H2,1H3;1-6H,7H2,(H,17,21)
• InChIKey: BGKLNBFOAKSYNO-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 158.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	703.59
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one?

The IUPAC name of 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one (CID 157341190) is 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one.

What is the SMILES notation for 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one?

The canonical SMILES for 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one is COc1nccc2sc(Cc3nnc(-c4ccc(Cl)cc4)o3)nc12.O=c1[nH]ccc2sc(Cc3nnc(-c4ccc(Cl)cc4)o3)nc12.

What is the InChIKey of 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one?

The InChIKey is BGKLNBFOAKSYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S.C15H9ClN4O2S/c1-22-16-14-11(6-7-18-16)24-13(19-14)8-12-20-21-15(23-12)9-2-4-10(17)5-3-9;16-9-3-1-8(2-4-9)15-20-19-11(22-15)7-12-18-13-10(23-12)5-6-17-14(13)21/h2-7H,8H2,1H3;1-6H,7H2,(H,17,21).

What are the key properties of 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one?

2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one has a molecular weight of 703.59 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-5-[(4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5H-[1,3]thiazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 157341190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).