(7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

C30H18N4OS — CID 129442603

About (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

(7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile (PubChem CID 129442603) has the molecular formula C30H18N4OS and a molecular weight of 482.57 g/mol. Its IUPAC name is (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.

Molecular Properties

• Compound Name: (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
• PubChem CID: 129442603
• Molecular Formula: C30H18N4OS
• Molecular Weight: 482.57 g/mol
• Exact Mass: 482.12
• IUPAC Name: (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
• SMILES: N#CC1=C(N)n2c(sc(=Cc3cccc4ccccc34)c2=O)=C(C#N)[C@@H]1c1cccc2ccccc12
• InChI: InChI=1S/C30H18N4OS/c31-16-24-27(23-14-6-10-19-8-2-4-13-22(19)23)25(17-32)30-34(28(24)33)29(35)26(36-30)15-20-11-5-9-18-7-1-3-12-21(18)20/h1-15,27H,33H2/t27-/m1/s1
• InChIKey: HUXYJFFHJKHUAA-HHHXNRCGSA-N
• XLogP: 4.17
• TPSA: 95.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.57
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?

The IUPAC name of (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile (CID 129442603) is (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile.

What is the SMILES notation for (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?

The canonical SMILES for (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is N#CC1=C(N)n2c(sc(=Cc3cccc4ccccc34)c2=O)=C(C#N)[C@@H]1c1cccc2ccccc12.

What is the InChIKey of (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?

The InChIKey is HUXYJFFHJKHUAA-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H18N4OS/c31-16-24-27(23-14-6-10-19-8-2-4-13-22(19)23)25(17-32)30-34(28(24)33)29(35)26(36-30)15-20-11-5-9-18-7-1-3-12-21(18)20/h1-15,27H,33H2/t27-/m1/s1.

What are the key properties of (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile?

(7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile has a molecular weight of 482.57 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is sourced from PubChem (CID 129442603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).