5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C15H16N4O3S — CID 131897091

About 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 131897091) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 131897091
• Molecular Formula: C15H16N4O3S
• Molecular Weight: 332.39 g/mol
• Exact Mass: 332.09
• IUPAC Name: 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCCc1cc(CNC(=O)c2sc3nc[nH]c(=O)c3c2C)on1
• InChI: InChI=1S/C15H16N4O3S/c1-3-4-9-5-10(22-19-9)6-16-14(21)12-8(2)11-13(20)17-7-18-15(11)23-12/h5,7H,3-4,6H2,1-2H3,(H,16,21)(H,17,18,20)
• InChIKey: SGENFCALUYHBTQ-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.39
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 131897091) is 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide is CCCc1cc(CNC(=O)c2sc3nc[nH]c(=O)c3c2C)on1.

What is the InChIKey of 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is SGENFCALUYHBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-3-4-9-5-10(22-19-9)6-16-14(21)12-8(2)11-13(20)17-7-18-15(11)23-12/h5,7H,3-4,6H2,1-2H3,(H,16,21)(H,17,18,20).

What are the key properties of 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide?

5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 131897091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).