2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine

C10H17ClN2S — CID 43137991

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCc1nc(CCl)cs1
InChIInChI=1S/C10H17ClN2S/c1-3-13(4-2)6-5-10-12-9(7-11)8-14-10/h8H,3-7H2,1-2H3
InChIKeyFCZVAGNRVKDDMV-UHFFFAOYSA-N
MW232.78 g/mol
LogP2.77
Rot. Bonds6

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine (PubChem CID 43137991) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
PubChem CID43137991
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCc1nc(CCl)cs1
InChIInChI=1S/C10H17ClN2S/c1-3-13(4-2)6-5-10-12-9(7-11)8-14-10/h8H,3-7H2,1-2H3
InChIKeyFCZVAGNRVKDDMV-UHFFFAOYSA-N
XLogP2.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine 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 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine (CID 43137991) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine is CCN(CC)CCc1nc(CCl)cs1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
The InChIKey is FCZVAGNRVKDDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-3-13(4-2)6-5-10-12-9(7-11)8-14-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine has a molecular weight of 232.78 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine is sourced from PubChem (CID 43137991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).