N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C22H23N5OS2 — CID 38200169

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 38200169) has the molecular formula C22H23N5OS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

• Compound Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
• PubChem CID: 38200169
• Molecular Formula: C22H23N5OS2
• Molecular Weight: 437.59 g/mol
• Exact Mass: 437.13
• IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
• SMILES: Cc1ccc(-n2nc(C)c(NC(=O)CSc3ncnc4sc(C)c(C)c34)c2C)cc1
• InChI: InChI=1S/C22H23N5OS2/c1-12-6-8-17(9-7-12)27-15(4)20(14(3)26-27)25-18(28)10-29-21-19-13(2)16(5)30-22(19)24-11-23-21/h6-9,11H,10H2,1-5H3,(H,25,28)
• InChIKey: GHQTYLVYWTYIPT-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.59
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?

The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 38200169) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?

The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1ccc(-n2nc(C)c(NC(=O)CSc3ncnc4sc(C)c(C)c34)c2C)cc1.

What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?

The InChIKey is GHQTYLVYWTYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS2/c1-12-6-8-17(9-7-12)27-15(4)20(14(3)26-27)25-18(28)10-29-21-19-13(2)16(5)30-22(19)24-11-23-21/h6-9,11H,10H2,1-5H3,(H,25,28).

What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 437.59 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 38200169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).