N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C18H17N5O3S — CID 108725665

About N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 108725665) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
• PubChem CID: 108725665
• Molecular Formula: C18H17N5O3S
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.11
• IUPAC Name: N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
• SMILES: O=C1CCC(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)=NN1
• InChI: InChI=1S/C18H17N5O3S/c24-15-7-6-13(21-22-15)16(25)20-18-19-12-8-9-23(10-14(12)27-18)17(26)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,22,24)(H,19,20,25)
• InChIKey: GWLLBFCWHQKKBO-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 103.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The IUPAC name of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 108725665) is N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

What is the SMILES notation for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The canonical SMILES for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)=NN1.

What is the InChIKey of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The InChIKey is GWLLBFCWHQKKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c24-15-7-6-13(21-22-15)16(25)20-18-19-12-8-9-23(10-14(12)27-18)17(26)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,22,24)(H,19,20,25).

What are the key properties of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108725665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).