5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole

C22H20FN5OS — CID 58521771

About 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole

5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole (PubChem CID 58521771) has the molecular formula C22H20FN5OS and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole.

Molecular Properties

• Compound Name: 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole
• PubChem CID: 58521771
• Molecular Formula: C22H20FN5OS
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.14
• IUPAC Name: 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole
• SMILES: COc1ncc(-c2cc(Cc3cnccn3)nc(C[C@@H](C)c3ccc(F)cc3)n2)s1
• InChI: InChI=1S/C22H20FN5OS/c1-14(15-3-5-16(23)6-4-15)9-21-27-17(10-18-12-24-7-8-25-18)11-19(28-21)20-13-26-22(29-2)30-20/h3-8,11-14H,9-10H2,1-2H3/t14-/m1/s1
• InChIKey: KSRSLMDGILPNOE-CQSZACIVSA-N
• XLogP: 4.47
• TPSA: 73.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole?

The IUPAC name of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole (CID 58521771) is 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole.

What is the SMILES notation for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole?

The canonical SMILES for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole is COc1ncc(-c2cc(Cc3cnccn3)nc(C[C@@H](C)c3ccc(F)cc3)n2)s1.

What is the InChIKey of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole?

The InChIKey is KSRSLMDGILPNOE-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20FN5OS/c1-14(15-3-5-16(23)6-4-15)9-21-27-17(10-18-12-24-7-8-25-18)11-19(28-21)20-13-26-22(29-2)30-20/h3-8,11-14H,9-10H2,1-2H3/t14-/m1/s1.

What are the key properties of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole?

5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole has a molecular weight of 421.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole is sourced from PubChem (CID 58521771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).