N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide

C23H27N5O3S2 — CID 167821258

About N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide (PubChem CID 167821258) has the molecular formula C23H27N5O3S2 and a molecular weight of 485.64 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
• PubChem CID: 167821258
• Molecular Formula: C23H27N5O3S2
• Molecular Weight: 485.64 g/mol
• Exact Mass: 485.16
• IUPAC Name: N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
• SMILES: COCCn1nc(C)c(CN(C)C(=O)Cc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)c1C
• InChI: InChI=1S/C23H27N5O3S2/c1-13-6-7-18(33-13)17-12-32-23-21(17)22(30)24-19(25-23)10-20(29)27(4)11-16-14(2)26-28(15(16)3)8-9-31-5/h6-7,12H,8-11H2,1-5H3,(H,24,25,30)
• InChIKey: GYEPATFCCYXMMT-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 93.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.64
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?

The IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide (CID 167821258) is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide.

What is the SMILES notation for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?

The canonical SMILES for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide is COCCn1nc(C)c(CN(C)C(=O)Cc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)c1C.

What is the InChIKey of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?

The InChIKey is GYEPATFCCYXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S2/c1-13-6-7-18(33-13)17-12-32-23-21(17)22(30)24-19(25-23)10-20(29)27(4)11-16-14(2)26-28(15(16)3)8-9-31-5/h6-7,12H,8-11H2,1-5H3,(H,24,25,30).

What are the key properties of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide has a molecular weight of 485.64 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 167821258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).