4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole

C15H25ClN2S — CID 55040233

IUPAC4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole
SMILESCC1CCCN(CCCCc2nc(CCl)cs2)C1C
InChIInChI=1S/C15H25ClN2S/c1-12-6-5-9-18(13(12)2)8-4-3-7-15-17-14(10-16)11-19-15/h11-13H,3-10H2,1-2H3
InChIKeyAPZNPOZLNYNSIA-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.32
Rot. Bonds6

About 4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole

4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole (PubChem CID 55040233) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole
PubChem CID55040233
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole
SMILESCC1CCCN(CCCCc2nc(CCl)cs2)C1C
InChIInChI=1S/C15H25ClN2S/c1-12-6-5-9-18(13(12)2)8-4-3-7-15-17-14(10-16)11-19-15/h11-13H,3-10H2,1-2H3
InChIKeyAPZNPOZLNYNSIA-UHFFFAOYSA-N
XLogP4.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole (CID 55040233) is 4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole is CC1CCCN(CCCCc2nc(CCl)cs2)C1C.
What is the InChIKey of 4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole?
The InChIKey is APZNPOZLNYNSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-12-6-5-9-18(13(12)2)8-4-3-7-15-17-14(10-16)11-19-15/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole?
4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole has a molecular weight of 300.90 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole is sourced from PubChem (CID 55040233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).