N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide

C₁₆H₂₇N₃O₂S — CID 71856475

About N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide

N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 71856475) has the molecular formula C₁₆H₂₇N₃O₂S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide
• PubChem CID: 71856475
• Molecular Formula: C₁₆H₂₇N₃O₂S
• Molecular Weight: 325.48 g/mol
• Exact Mass: 325.18
• IUPAC Name: N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide
• SMILES: CCCc1ncc(C(=O)NC(CN2CCOCC2)C(C)C)s1
• InChI: InChI=1S/C16H27N3O2S/c1-4-5-15-17-10-14(22-15)16(20)18-13(12(2)3)11-19-6-8-21-9-7-19/h10,12-13H,4-9,11H2,1-3H3,(H,18,20)
• InChIKey: LVOIDTNUAPUUIR-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.48
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide (CID 71856475) is N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)NC(CN2CCOCC2)C(C)C)s1.

What is the InChIKey of N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide?

The InChIKey is LVOIDTNUAPUUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-5-15-17-10-14(22-15)16(20)18-13(12(2)3)11-19-6-8-21-9-7-19/h10,12-13H,4-9,11H2,1-3H3,(H,18,20).

What are the key properties of N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide?

N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71856475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71856475 — identifiers, structure, computed properties (public domain)

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