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

C25H25N5O2S — CID 55756077

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

1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55756077) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
• PubChem CID: 55756077
• Molecular Formula: C25H25N5O2S
• Molecular Weight: 459.58 g/mol
• Exact Mass: 459.17
• IUPAC Name: 1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C1=NN(Cc2ccccc2)C(=O)CC1
• InChI: InChI=1S/C25H25N5O2S/c31-23-12-11-21(28-30(23)16-19-9-5-2-6-10-19)24(32)27-25-26-20-13-14-29(17-22(20)33-25)15-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,26,27,32)
• InChIKey: RFJCRRZGZQOOOF-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 77.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.58
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55756077) is 1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

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

The canonical SMILES for 1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C1=NN(Cc2ccccc2)C(=O)CC1.

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

The InChIKey is RFJCRRZGZQOOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c31-23-12-11-21(28-30(23)16-19-9-5-2-6-10-19)24(32)27-25-26-20-13-14-29(17-22(20)33-25)15-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,26,27,32).

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

1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 459.58 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55756077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).