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

C8H14Cl2N2S — CID 13373516

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCc1nc(CCl)cs1.Cl
InChIInChI=1S/C8H13ClN2S.ClH/c1-11(2)4-3-8-10-7(5-9)6-12-8;/h6H,3-5H2,1-2H3;1H
InChIKeyVHTXNPLQZNZUIQ-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.41
Rot. Bonds4

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride (PubChem CID 13373516) has the molecular formula C8H14Cl2N2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride
PubChem CID13373516
Molecular FormulaC8H14Cl2N2S
Molecular Weight241.19 g/mol
Exact Mass240.03
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCc1nc(CCl)cs1.Cl
InChIInChI=1S/C8H13ClN2S.ClH/c1-11(2)4-3-8-10-7(5-9)6-12-8;/h6H,3-5H2,1-2H3;1H
InChIKeyVHTXNPLQZNZUIQ-UHFFFAOYSA-N
XLogP2.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.41
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;hydrochloride?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride (CID 13373516) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride is CN(C)CCc1nc(CCl)cs1.Cl.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride?
The InChIKey is VHTXNPLQZNZUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S.ClH/c1-11(2)4-3-8-10-7(5-9)6-12-8;/h6H,3-5H2,1-2H3;1H.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine;hydrochloride has a molecular weight of 241.19 g/mol, XLogP of 2.41, 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;hydrochloride is sourced from PubChem (CID 13373516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).