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

C18H18N4S2 — CID 24914870

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

5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole (PubChem CID 24914870) has the molecular formula C18H18N4S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: 5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole
• PubChem CID: 24914870
• Molecular Formula: C18H18N4S2
• Molecular Weight: 354.50 g/mol
• Exact Mass: 354.10
• IUPAC Name: 5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole
• SMILES: CSc1ncc2c(n1)CCN(Cc1cnc(-c3ccccc3)s1)C2
• InChI: InChI=1S/C18H18N4S2/c1-23-18-20-9-14-11-22(8-7-16(14)21-18)12-15-10-19-17(24-15)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11-12H2,1H3
• InChIKey: JQQKRTNIMYMQFX-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 41.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.50
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole (CID 24914870) is 5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole.

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

The canonical SMILES for 5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole is CSc1ncc2c(n1)CCN(Cc1cnc(-c3ccccc3)s1)C2.

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

The InChIKey is JQQKRTNIMYMQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S2/c1-23-18-20-9-14-11-22(8-7-16(14)21-18)12-15-10-19-17(24-15)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11-12H2,1H3.

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

5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole has a molecular weight of 354.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 24914870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).