N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C26H24N6O2S — CID 108725741

About N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 108725741) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

• Compound Name: N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
• PubChem CID: 108725741
• Molecular Formula: C26H24N6O2S
• Molecular Weight: 484.59 g/mol
• Exact Mass: 484.17
• IUPAC Name: N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
• SMILES: Cc1cc(C)nc(Nc2cccc(C(=O)Nc3nc4c(s3)CN(C(=O)c3ccccc3)CC4)c2)n1
• InChI: InChI=1S/C26H24N6O2S/c1-16-13-17(2)28-25(27-16)29-20-10-6-9-19(14-20)23(33)31-26-30-21-11-12-32(15-22(21)35-26)24(34)18-7-4-3-5-8-18/h3-10,13-14H,11-12,15H2,1-2H3,(H,27,28,29)(H,30,31,33)
• InChIKey: NMBNXHWTEGAYHO-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 100.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.59
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?

The IUPAC name of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 108725741) is N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

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

The canonical SMILES for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is Cc1cc(C)nc(Nc2cccc(C(=O)Nc3nc4c(s3)CN(C(=O)c3ccccc3)CC4)c2)n1.

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

The InChIKey is NMBNXHWTEGAYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-16-13-17(2)28-25(27-16)29-20-10-6-9-19(14-20)23(33)31-26-30-21-11-12-32(15-22(21)35-26)24(34)18-7-4-3-5-8-18/h3-10,13-14H,11-12,15H2,1-2H3,(H,27,28,29)(H,30,31,33).

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

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 484.59 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 108725741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).