2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole

C₁₁H₁₇ClN₂S — CID 131071079

About 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole

2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole (PubChem CID 131071079) has the molecular formula C₁₁H₁₇ClN₂S and a molecular weight of 244.79 g/mol. Its IUPAC name is 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole
• PubChem CID: 131071079
• Molecular Formula: C₁₁H₁₇ClN₂S
• Molecular Weight: 244.79 g/mol
• Exact Mass: 244.08
• IUPAC Name: 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole
• SMILES: Cc1nc(N2CCCC(Cl)C2C)sc1C
• InChI: InChI=1S/C11H17ClN2S/c1-7-9(3)15-11(13-7)14-6-4-5-10(12)8(14)2/h8,10H,4-6H2,1-3H3
• InChIKey: ZLBFIDOOJZPLPK-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 16.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.79
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole?

The IUPAC name of 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole (CID 131071079) is 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole.

What is the SMILES notation for 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole?

The canonical SMILES for 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole is Cc1nc(N2CCCC(Cl)C2C)sc1C.

What is the InChIKey of 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole?

The InChIKey is ZLBFIDOOJZPLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-7-9(3)15-11(13-7)14-6-4-5-10(12)8(14)2/h8,10H,4-6H2,1-3H3.

What are the key properties of 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole?

2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 244.79 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 131071079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131071079 — identifiers, structure, computed properties (public domain)

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