2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole

C22H20N4S2 — CID 24917493

About 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole

2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (PubChem CID 24917493) has the molecular formula C22H20N4S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
• PubChem CID: 24917493
• Molecular Formula: C22H20N4S2
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.11
• IUPAC Name: 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
• SMILES: Cc1ccccc1-c1ncc(CN2CCc3nc(-c4cccs4)ncc3C2)s1
• InChI: InChI=1S/C22H20N4S2/c1-15-5-2-3-6-18(15)22-24-12-17(28-22)14-26-9-8-19-16(13-26)11-23-21(25-19)20-7-4-10-27-20/h2-7,10-12H,8-9,13-14H2,1H3
• InChIKey: NWLBNCDTKIMADA-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 41.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?

The IUPAC name of 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (CID 24917493) is 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.

What is the SMILES notation for 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?

The canonical SMILES for 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is Cc1ccccc1-c1ncc(CN2CCc3nc(-c4cccs4)ncc3C2)s1.

What is the InChIKey of 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?

The InChIKey is NWLBNCDTKIMADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S2/c1-15-5-2-3-6-18(15)22-24-12-17(28-22)14-26-9-8-19-16(13-26)11-23-21(25-19)20-7-4-10-27-20/h2-7,10-12H,8-9,13-14H2,1H3.

What are the key properties of 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?

2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole has a molecular weight of 404.56 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24917493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).