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

C8H13ClN2S — CID 13373515

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1nc(CCl)cs1
InChIInChI=1S/C8H13ClN2S/c1-11(2)4-3-8-10-7(5-9)6-12-8/h6H,3-5H2,1-2H3
InChIKeyJCKZRUPIAPOLNZ-UHFFFAOYSA-N
MW204.73 g/mol
LogP1.99
Rot. Bonds4

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine (PubChem CID 13373515) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
PubChem CID13373515
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1nc(CCl)cs1
InChIInChI=1S/C8H13ClN2S/c1-11(2)4-3-8-10-7(5-9)6-12-8/h6H,3-5H2,1-2H3
InChIKeyJCKZRUPIAPOLNZ-UHFFFAOYSA-N
XLogP1.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine (CID 13373515) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine is CN(C)CCc1nc(CCl)cs1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The InChIKey is JCKZRUPIAPOLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-11(2)4-3-8-10-7(5-9)6-12-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine has a molecular weight of 204.73 g/mol, XLogP of 1.99, 4 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-dimethylethanamine is sourced from PubChem (CID 13373515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).