(2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one

C30H20N2O5S — CID 98213702

About (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one

(2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one (PubChem CID 98213702) has the molecular formula C30H20N2O5S and a molecular weight of 520.57 g/mol. Its IUPAC name is (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one.

Molecular Properties

• Compound Name: (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one
• PubChem CID: 98213702
• Molecular Formula: C30H20N2O5S
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.11
• IUPAC Name: (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one
• SMILES: NC1=C(C(=O)c2ccccc2)[C@@H](c2ccco2)C(C(=O)c2ccccc2)=c2s/c(=C\c3ccco3)c(=O)n21
• InChI: InChI=1S/C30H20N2O5S/c31-28-24(26(33)18-9-3-1-4-10-18)23(21-14-8-16-37-21)25(27(34)19-11-5-2-6-12-19)30-32(28)29(35)22(38-30)17-20-13-7-15-36-20/h1-17,23H,31H2/b22-17-/t23-/m1/s1
• InChIKey: LPLQOFINOQKELG-IYTCMIDZSA-N
• XLogP: 3.77
• TPSA: 108.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one?

The IUPAC name of (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one (CID 98213702) is (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one.

What is the SMILES notation for (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one?

The canonical SMILES for (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one is NC1=C(C(=O)c2ccccc2)[C@@H](c2ccco2)C(C(=O)c2ccccc2)=c2s/c(=C\c3ccco3)c(=O)n21.

What is the InChIKey of (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one?

The InChIKey is LPLQOFINOQKELG-IYTCMIDZSA-N. The full InChI is InChI=1S/C30H20N2O5S/c31-28-24(26(33)18-9-3-1-4-10-18)23(21-14-8-16-37-21)25(27(34)19-11-5-2-6-12-19)30-32(28)29(35)22(38-30)17-20-13-7-15-36-20/h1-17,23H,31H2/b22-17-/t23-/m1/s1.

What are the key properties of (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one?

(2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one has a molecular weight of 520.57 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,7R)-5-amino-6,8-dibenzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridin-3-one is sourced from PubChem (CID 98213702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).