5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole

C11H17ClN2S — CID 112644358

IUPAC5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESClCCC1CCCN(Cc2cncs2)C1
InChIInChI=1S/C11H17ClN2S/c12-4-3-10-2-1-5-14(7-10)8-11-6-13-9-15-11/h6,9-10H,1-5,7-8H2
InChIKeyWYHREKIMDMSWEV-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.98
Rot. Bonds4

About 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole

5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 112644358) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID112644358
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESClCCC1CCCN(Cc2cncs2)C1
InChIInChI=1S/C11H17ClN2S/c12-4-3-10-2-1-5-14(7-10)8-11-6-13-9-15-11/h6,9-10H,1-5,7-8H2
InChIKeyWYHREKIMDMSWEV-UHFFFAOYSA-N
XLogP2.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-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

Related Compounds

3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
CID 63388568
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
3-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878847
1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide
CID 112640779
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487
1-(4-chlorophenyl)-N-[[(3R)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97274571
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 110100807
1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 112641611
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 166600630
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 112644358) is 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole is ClCCC1CCCN(Cc2cncs2)C1.
What is the InChIKey of 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WYHREKIMDMSWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c12-4-3-10-2-1-5-14(7-10)8-11-6-13-9-15-11/h6,9-10H,1-5,7-8H2.
What are the key properties of 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole?
5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 244.79 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 112644358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).