N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C17H14N6O3S — CID 166190944

About N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 166190944) has the molecular formula C17H14N6O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
• PubChem CID: 166190944
• Molecular Formula: C17H14N6O3S
• Molecular Weight: 382.41 g/mol
• Exact Mass: 382.08
• IUPAC Name: N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
• SMILES: Cc1nc2cc[nH]n2c(=O)c1CC(=O)Nc1nnc(/C=C/c2ccco2)s1
• InChI: InChI=1S/C17H14N6O3S/c1-10-12(16(25)23-13(19-10)6-7-18-23)9-14(24)20-17-22-21-15(27-17)5-4-11-3-2-8-26-11/h2-8,18H,9H2,1H3,(H,20,22,24)/b5-4+
• InChIKey: PKPIHPZDNYPNEF-SNAWJCMRSA-N
• XLogP: 2.13
• TPSA: 118.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.41
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?

The IUPAC name of N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 166190944) is N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

What is the SMILES notation for N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?

The canonical SMILES for N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2cc[nH]n2c(=O)c1CC(=O)Nc1nnc(/C=C/c2ccco2)s1.

What is the InChIKey of N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?

The InChIKey is PKPIHPZDNYPNEF-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H14N6O3S/c1-10-12(16(25)23-13(19-10)6-7-18-23)9-14(24)20-17-22-21-15(27-17)5-4-11-3-2-8-26-11/h2-8,18H,9H2,1H3,(H,20,22,24)/b5-4+.

What are the key properties of N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?

N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 382.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 166190944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).