2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

C20H23ClN4O2S — CID 127250881

About 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 127250881) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

• Compound Name: 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
• PubChem CID: 127250881
• Molecular Formula: C20H23ClN4O2S
• Molecular Weight: 418.95 g/mol
• Exact Mass: 418.12
• IUPAC Name: 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
• SMILES: Cc1ncc(CN2CCOC(c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)s1
• InChI: InChI=1S/C20H23ClN4O2S/c1-14-22-11-18(28-14)12-25-6-8-27-20(13-25)19-10-16(23-24-19)5-7-26-17-4-2-3-15(21)9-17/h2-4,9-11,20H,5-8,12-13H2,1H3,(H,23,24)
• InChIKey: XTBMJYFJQWHDHR-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 63.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.95
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?

The IUPAC name of 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (CID 127250881) is 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.

What is the SMILES notation for 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?

The canonical SMILES for 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is Cc1ncc(CN2CCOC(c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)s1.

What is the InChIKey of 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?

The InChIKey is XTBMJYFJQWHDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c1-14-22-11-18(28-14)12-25-6-8-27-20(13-25)19-10-16(23-24-19)5-7-26-17-4-2-3-15(21)9-17/h2-4,9-11,20H,5-8,12-13H2,1H3,(H,23,24).

What are the key properties of 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?

2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 418.95 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 127250881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).