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

C19H20N4O3S2 — CID 24915113

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

2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (PubChem CID 24915113) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
• PubChem CID: 24915113
• Molecular Formula: C19H20N4O3S2
• Molecular Weight: 416.53 g/mol
• Exact Mass: 416.10
• IUPAC Name: 2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
• SMILES: COc1ccc(-c2ncc(CN3CCc4nc(S(C)(=O)=O)ncc4C3)s2)cc1
• InChI: InChI=1S/C19H20N4O3S2/c1-26-15-5-3-13(4-6-15)18-20-10-16(27-18)12-23-8-7-17-14(11-23)9-21-19(22-17)28(2,24)25/h3-6,9-10H,7-8,11-12H2,1-2H3
• InChIKey: PCGHPAOENYQTCB-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 85.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.53
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (CID 24915113) is 2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.

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

The canonical SMILES for 2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is COc1ccc(-c2ncc(CN3CCc4nc(S(C)(=O)=O)ncc4C3)s2)cc1.

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

The InChIKey is PCGHPAOENYQTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-26-15-5-3-13(4-6-15)18-20-10-16(27-18)12-23-8-7-17-14(11-23)9-21-19(22-17)28(2,24)25/h3-6,9-10H,7-8,11-12H2,1-2H3.

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

2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole has a molecular weight of 416.53 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24915113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).