N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C21H27N3O2S — CID 16868480

About N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868480) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
• PubChem CID: 16868480
• Molecular Formula: C21H27N3O2S
• Molecular Weight: 385.53 g/mol
• Exact Mass: 385.18
• IUPAC Name: N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
• SMILES: CCCCc1ccc(NC(=O)CC2CSc3nc(CCC)cc(=O)n32)cc1
• InChI: InChI=1S/C21H27N3O2S/c1-3-5-7-15-8-10-16(11-9-15)22-19(25)13-18-14-27-21-23-17(6-4-2)12-20(26)24(18)21/h8-12,18H,3-7,13-14H2,1-2H3,(H,22,25)
• InChIKey: ADOWJMFHFWQEMF-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.53
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The IUPAC name of N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868480) is N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

What is the SMILES notation for N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The canonical SMILES for N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCCCc1ccc(NC(=O)CC2CSc3nc(CCC)cc(=O)n32)cc1.

What is the InChIKey of N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

The InChIKey is ADOWJMFHFWQEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-5-7-15-8-10-16(11-9-15)22-19(25)13-18-14-27-21-23-17(6-4-2)12-20(26)24(18)21/h8-12,18H,3-7,13-14H2,1-2H3,(H,22,25).

What are the key properties of N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?

N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 385.53 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).