(2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone

C₁₈H₂₃N₃OS — CID 71818431

About (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone

(2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone (PubChem CID 71818431) has the molecular formula C₁₈H₂₃N₃OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
• PubChem CID: 71818431
• Molecular Formula: C₁₈H₂₃N₃OS
• Molecular Weight: 329.47 g/mol
• Exact Mass: 329.16
• IUPAC Name: (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
• SMILES: Cc1ccc(Nc2nc(C(=O)N3CCCC(C)C3C)cs2)cc1
• InChI: InChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,20)
• InChIKey: YKFSMOUFOXUQLG-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.47
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone?

The IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone (CID 71818431) is (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone.

What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone?

The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone is Cc1ccc(Nc2nc(C(=O)N3CCCC(C)C3C)cs2)cc1.

What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone?

The InChIKey is YKFSMOUFOXUQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,20).

What are the key properties of (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone?

(2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 71818431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71818431 — identifiers, structure, computed properties (public domain)

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