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

C24H17N3O5S — CID 6024996

IUPAC(2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESNC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C(=O)c2ccccc2)C1c1ccco1
InChIInChI=1S/C24H17N3O5S/c25-21-18(20(28)13-6-2-1-3-7-13)17(15-9-5-11-32-15)19(22(26)29)24-27(21)23(30)16(33-24)12-14-8-4-10-31-14/h1-12,17H,25H2,(H2,26,29)/b16-12-
InChIKeyOGTBISQPPNGAHN-VBKFSLOCSA-N
MW459.48 g/mol
LogP1.37
Rot. Bonds5

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

(2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 6024996) has the molecular formula C24H17N3O5S and a molecular weight of 459.48 g/mol. Its IUPAC name is (2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name(2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
PubChem CID6024996
Molecular FormulaC24H17N3O5S
Molecular Weight459.48 g/mol
Exact Mass459.09
IUPAC Name(2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESNC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C(=O)c2ccccc2)C1c1ccco1
InChIInChI=1S/C24H17N3O5S/c25-21-18(20(28)13-6-2-1-3-7-13)17(15-9-5-11-32-15)19(22(26)29)24-27(21)23(30)16(33-24)12-14-8-4-10-31-14/h1-12,17H,25H2,(H2,26,29)/b16-12-
InChIKeyOGTBISQPPNGAHN-VBKFSLOCSA-N
XLogP1.37
TPSA134.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The IUPAC name of (2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 6024996) is (2Z)-5-amino-6-benzoyl-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 (2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The canonical SMILES for (2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is NC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C(=O)c2ccccc2)C1c1ccco1.
What is the InChIKey of (2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The InChIKey is OGTBISQPPNGAHN-VBKFSLOCSA-N. The full InChI is InChI=1S/C24H17N3O5S/c25-21-18(20(28)13-6-2-1-3-7-13)17(15-9-5-11-32-15)19(22(26)29)24-27(21)23(30)16(33-24)12-14-8-4-10-31-14/h1-12,17H,25H2,(H2,26,29)/b16-12-.
What are the key properties of (2Z)-5-amino-6-benzoyl-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
(2Z)-5-amino-6-benzoyl-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 459.48 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-amino-6-benzoyl-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 6024996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).