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

C20H21ClN4O3S — CID 127250799

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

[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 127250799) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is [2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
• PubChem CID: 127250799
• Molecular Formula: C20H21ClN4O3S
• Molecular Weight: 432.93 g/mol
• Exact Mass: 432.10
• IUPAC Name: [2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
• SMILES: Cc1ncsc1C(=O)N1CCOC(c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1
• InChI: InChI=1S/C20H21ClN4O3S/c1-13-19(29-12-22-13)20(26)25-6-8-28-18(11-25)17-10-15(23-24-17)5-7-27-16-4-2-3-14(21)9-16/h2-4,9-10,12,18H,5-8,11H2,1H3,(H,23,24)
• InChIKey: SKCWAAYDMMOEAN-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.93
LogP ≤ 5	3.66
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]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?

The IUPAC name of [2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 127250799) is [2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

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

The canonical SMILES for [2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCOC(c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1.

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

The InChIKey is SKCWAAYDMMOEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-13-19(29-12-22-13)20(26)25-6-8-28-18(11-25)17-10-15(23-24-17)5-7-27-16-4-2-3-14(21)9-16/h2-4,9-10,12,18H,5-8,11H2,1H3,(H,23,24).

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

[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 432.93 g/mol, XLogP of 3.66, 6 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]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 127250799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).