2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide

C20H17N5O3S — CID 24668194

About 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide

2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide (PubChem CID 24668194) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide.

Molecular Properties

• Compound Name: 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
• PubChem CID: 24668194
• Molecular Formula: C20H17N5O3S
• Molecular Weight: 407.46 g/mol
• Exact Mass: 407.11
• IUPAC Name: 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
• SMILES: CC(C)c1nnc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)s1
• InChI: InChI=1S/C20H17N5O3S/c1-11(2)17-23-24-19(29-17)22-16(26)12-8-9-14-15(10-12)21-20(28)25(18(14)27)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,28)(H,22,24,26)
• InChIKey: WNDGHDQTIDMWKX-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 109.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.46
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide?

The IUPAC name of 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide (CID 24668194) is 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide.

What is the SMILES notation for 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide?

The canonical SMILES for 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide is CC(C)c1nnc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)s1.

What is the InChIKey of 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide?

The InChIKey is WNDGHDQTIDMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-11(2)17-23-24-19(29-17)22-16(26)12-8-9-14-15(10-12)21-20(28)25(18(14)27)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,28)(H,22,24,26).

What are the key properties of 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide?

2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 24668194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).