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

C14H23ClN2S — CID 62123594

IUPAC4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole
SMILESCC1CCCN(CCCc2nc(CCl)cs2)C1C
InChIInChI=1S/C14H23ClN2S/c1-11-5-3-7-17(12(11)2)8-4-6-14-16-13(9-15)10-18-14/h10-12H,3-9H2,1-2H3
InChIKeyFSUSZHVMDSFBFJ-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.93
Rot. Bonds5

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

4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole (PubChem CID 62123594) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole
PubChem CID62123594
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole
SMILESCC1CCCN(CCCc2nc(CCl)cs2)C1C
InChIInChI=1S/C14H23ClN2S/c1-11-5-3-7-17(12(11)2)8-4-6-14-16-13(9-15)10-18-14/h10-12H,3-9H2,1-2H3
InChIKeyFSUSZHVMDSFBFJ-UHFFFAOYSA-N
XLogP3.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole (CID 62123594) is 4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole is CC1CCCN(CCCc2nc(CCl)cs2)C1C.
What is the InChIKey of 4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole?
The InChIKey is FSUSZHVMDSFBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-11-5-3-7-17(12(11)2)8-4-6-14-16-13(9-15)10-18-14/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole?
4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole has a molecular weight of 286.87 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole is sourced from PubChem (CID 62123594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).