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

C20H23N5O3S — CID 29413242

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

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 29413242) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
• PubChem CID: 29413242
• Molecular Formula: C20H23N5O3S
• Molecular Weight: 413.50 g/mol
• Exact Mass: 413.15
• IUPAC Name: N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
• SMILES: CCN1CCc2nc(NC(=O)Cn3c(=O)n(CC)c(=O)c4ccccc43)sc2C1
• InChI: InChI=1S/C20H23N5O3S/c1-3-23-10-9-14-16(11-23)29-19(21-14)22-17(26)12-25-15-8-6-5-7-13(15)18(27)24(4-2)20(25)28/h5-8H,3-4,9-12H2,1-2H3,(H,21,22,26)
• InChIKey: YBTUDWFOKYJWSO-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.50
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 29413242) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

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

The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCN1CCc2nc(NC(=O)Cn3c(=O)n(CC)c(=O)c4ccccc43)sc2C1.

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

The InChIKey is YBTUDWFOKYJWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-3-23-10-9-14-16(11-23)29-19(21-14)22-17(26)12-25-15-8-6-5-7-13(15)18(27)24(4-2)20(25)28/h5-8H,3-4,9-12H2,1-2H3,(H,21,22,26).

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

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 413.50 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 29413242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).