3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine

C₁₂H₁₆N₄OS — CID 110132411

About 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine

3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine (PubChem CID 110132411) has the molecular formula C₁₂H₁₆N₄OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine.

Molecular Properties

• Compound Name: 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
• PubChem CID: 110132411
• Molecular Formula: C₁₂H₁₆N₄OS
• Molecular Weight: 264.35 g/mol
• Exact Mass: 264.10
• IUPAC Name: 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
• SMILES: Cc1cn[nH]c1C1COCCN1Cc1cscn1
• InChI: InChI=1S/C12H16N4OS/c1-9-4-14-15-12(9)11-6-17-3-2-16(11)5-10-7-18-8-13-10/h4,7-8,11H,2-3,5-6H2,1H3,(H,14,15)
• InChIKey: MQHVYLOWUVNWPR-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.35
LogP ≤ 5	1.75
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-(1,3-thiazol-4-ylmethyl)morpholine?

The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine (CID 110132411) is 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine.

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

The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine is Cc1cn[nH]c1C1COCCN1Cc1cscn1.

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

The InChIKey is MQHVYLOWUVNWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9-4-14-15-12(9)11-6-17-3-2-16(11)5-10-7-18-8-13-10/h4,7-8,11H,2-3,5-6H2,1H3,(H,14,15).

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

3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine has a molecular weight of 264.35 g/mol, XLogP of 1.75, 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-(1,3-thiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 110132411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110132411 — identifiers, structure, computed properties (public domain)

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