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

C18H12N4O4S — CID 129444971

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

(7R)-5-amino-6-cyano-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 129444971) has the molecular formula C18H12N4O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is (7R)-5-amino-6-cyano-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: (7R)-5-amino-6-cyano-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• PubChem CID: 129444971
• Molecular Formula: C18H12N4O4S
• Molecular Weight: 380.39 g/mol
• Exact Mass: 380.06
• IUPAC Name: (7R)-5-amino-6-cyano-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
• SMILES: N#CC1=C(N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)[C@@H]1c1ccco1
• InChI: InChI=1S/C18H12N4O4S/c19-8-10-13(11-4-2-6-26-11)14(16(21)23)18-22(15(10)20)17(24)12(27-18)7-9-3-1-5-25-9/h1-7,13H,20H2,(H2,21,23)/t13-/m0/s1
• InChIKey: XIOOJUQFJYPVLA-ZDUSSCGKSA-N
• XLogP: 0.01
• TPSA: 141.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.39
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (7R)-5-amino-6-cyano-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 129444971) is (7R)-5-amino-6-cyano-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

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

The canonical SMILES for (7R)-5-amino-6-cyano-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is N#CC1=C(N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)[C@@H]1c1ccco1.

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

The InChIKey is XIOOJUQFJYPVLA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H12N4O4S/c19-8-10-13(11-4-2-6-26-11)14(16(21)23)18-22(15(10)20)17(24)12(27-18)7-9-3-1-5-25-9/h1-7,13H,20H2,(H2,21,23)/t13-/m0/s1.

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

(7R)-5-amino-6-cyano-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-5-amino-6-cyano-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 129444971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).