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

C₁₃H₁₈N₄OS — CID 110132418

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

3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 110132418) has the molecular formula C₁₃H₁₈N₄OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

• Compound Name: 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
• PubChem CID: 110132418
• Molecular Formula: C₁₃H₁₈N₄OS
• Molecular Weight: 278.38 g/mol
• Exact Mass: 278.12
• IUPAC Name: 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
• SMILES: Cc1nc(CN2CCOCC2c2[nH]ncc2C)cs1
• InChI: InChI=1S/C13H18N4OS/c1-9-5-14-16-13(9)12-7-18-4-3-17(12)6-11-8-19-10(2)15-11/h5,8,12H,3-4,6-7H2,1-2H3,(H,14,16)
• InChIKey: WMICKLDTPYWLJO-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.38
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine (CID 110132418) is 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine.

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

The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine is Cc1nc(CN2CCOCC2c2[nH]ncc2C)cs1.

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

The InChIKey is WMICKLDTPYWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-5-14-16-13(9)12-7-18-4-3-17(12)6-11-8-19-10(2)15-11/h5,8,12H,3-4,6-7H2,1-2H3,(H,14,16).

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

3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 278.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 110132418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110132418 — identifiers, structure, computed properties (public domain)

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