N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide

C20H22N6O3S — CID 112807438

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 112807438) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
• PubChem CID: 112807438
• Molecular Formula: C20H22N6O3S
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.15
• IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
• SMILES: Cc1oc(NC(=O)CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C#N)c1C
• InChI: InChI=1S/C20H22N6O3S/c1-13-14(2)29-19(16(13)10-21)23-17(27)12-25-5-3-24(4-6-25)11-15-9-18(28)26-7-8-30-20(26)22-15/h7-9H,3-6,11-12H2,1-2H3,(H,23,27)
• InChIKey: QGVZUQOQGSBLSQ-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 106.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide (CID 112807438) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide is Cc1oc(NC(=O)CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C#N)c1C.

What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?

The InChIKey is QGVZUQOQGSBLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-13-14(2)29-19(16(13)10-21)23-17(27)12-25-5-3-24(4-6-25)11-15-9-18(28)26-7-8-30-20(26)22-15/h7-9H,3-6,11-12H2,1-2H3,(H,23,27).

What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 112807438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).