4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole

C13H21ClN2S — CID 43266689

IUPAC4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole
SMILESCCC1CCCCN1CCc1nc(CCl)cs1
InChIInChI=1S/C13H21ClN2S/c1-2-12-5-3-4-7-16(12)8-6-13-15-11(9-14)10-17-13/h10,12H,2-9H2,1H3
InChIKeyWJCLSHVNNNYOLN-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.69
Rot. Bonds5

About 4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole

4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole (PubChem CID 43266689) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole
PubChem CID43266689
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole
SMILESCCC1CCCCN1CCc1nc(CCl)cs1
InChIInChI=1S/C13H21ClN2S/c1-2-12-5-3-4-7-16(12)8-6-13-15-11(9-14)10-17-13/h10,12H,2-9H2,1H3
InChIKeyWJCLSHVNNNYOLN-UHFFFAOYSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole
CID 62123594
2-[3-(azocan-1-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320490
4-(chloromethyl)-2-[4-(2-methylpyrrolidin-1-yl)butyl]-1,3-thiazole
CID 54966700
4-(chloromethyl)-2-[4-(2,3-dimethylpiperidin-1-yl)butyl]-1,3-thiazole
CID 55040233
N-[[4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 104692365
4-(chloromethyl)-2-[3-(4-propylpiperazin-1-yl)propyl]-1,3-thiazole
CID 43320470
4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole
CID 60974332
[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol
CID 43138386
2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 113336000
4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 63973702
N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-N-methylcycloheptanamine
CID 43614327
1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]azepan-2-one
CID 43138414

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole (CID 43266689) is 4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole is CCC1CCCCN1CCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is WJCLSHVNNNYOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-2-12-5-3-4-7-16(12)8-6-13-15-11(9-14)10-17-13/h10,12H,2-9H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 272.84 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 43266689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).