N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C18H20N6O4S2 — CID 90532939

About N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 90532939) has the molecular formula C18H20N6O4S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
• PubChem CID: 90532939
• Molecular Formula: C18H20N6O4S2
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.10
• IUPAC Name: N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
• SMILES: CN(C)S(=O)(=O)N1CCc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2C1
• InChI: InChI=1S/C18H20N6O4S2/c1-22(2)30(27,28)24-8-7-14-15(9-24)29-18(20-14)21-16(25)10-23-11-19-13-6-4-3-5-12(13)17(23)26/h3-6,11H,7-10H2,1-2H3,(H,20,21,25)
• InChIKey: JPZRKTGFQNEZNG-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 117.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?

The IUPAC name of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 90532939) is N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

What is the SMILES notation for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?

The canonical SMILES for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is CN(C)S(=O)(=O)N1CCc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2C1.

What is the InChIKey of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?

The InChIKey is JPZRKTGFQNEZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S2/c1-22(2)30(27,28)24-8-7-14-15(9-24)29-18(20-14)21-16(25)10-23-11-19-13-6-4-3-5-12(13)17(23)26/h3-6,11H,7-10H2,1-2H3,(H,20,21,25).

What are the key properties of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?

N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 448.53 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 90532939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).