N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide

C23H26N6OS2 — CID 112794298

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide (PubChem CID 112794298) has the molecular formula C23H26N6OS2 and a molecular weight of 466.64 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide
• PubChem CID: 112794298
• Molecular Formula: C23H26N6OS2
• Molecular Weight: 466.64 g/mol
• Exact Mass: 466.16
• IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide
• SMILES: Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCC(c3cccs3)N(C)C)nc2n1
• InChI: InChI=1S/C23H26N6OS2/c1-15-12-16(2)29-22(25-15)26-23(27-29)32-14-17-8-5-6-9-18(17)21(30)24-13-19(28(3)4)20-10-7-11-31-20/h5-12,19H,13-14H2,1-4H3,(H,24,30)
• InChIKey: ZJAOLSQPEOTZIO-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.64
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide?

The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide (CID 112794298) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide?

The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide is Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCC(c3cccs3)N(C)C)nc2n1.

What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide?

The InChIKey is ZJAOLSQPEOTZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS2/c1-15-12-16(2)29-22(25-15)26-23(27-29)32-14-17-8-5-6-9-18(17)21(30)24-13-19(28(3)4)20-10-7-11-31-20/h5-12,19H,13-14H2,1-4H3,(H,24,30).

What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide?

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide has a molecular weight of 466.64 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 112794298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).