4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride

C6H11Cl3N2S — CID 18758938

IUPAC4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCN(C)c1nc(CCl)cs1.Cl.Cl
InChIInChI=1S/C6H9ClN2S.2ClH/c1-9(2)6-8-5(3-7)4-10-6;;/h4H,3H2,1-2H3;2*1H
InChIKeyUVKGUGDQJDWFBU-UHFFFAOYSA-N
MW249.59 g/mol
LogP2.79
Rot. Bonds2

About 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride

4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 18758938) has the molecular formula C6H11Cl3N2S and a molecular weight of 249.59 g/mol. Its IUPAC name is 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride
PubChem CID18758938
Molecular FormulaC6H11Cl3N2S
Molecular Weight249.59 g/mol
Exact Mass247.97
IUPAC Name4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCN(C)c1nc(CCl)cs1.Cl.Cl
InChIInChI=1S/C6H9ClN2S.2ClH/c1-9(2)6-8-5(3-7)4-10-6;;/h4H,3H2,1-2H3;2*1H
InChIKeyUVKGUGDQJDWFBU-UHFFFAOYSA-N
XLogP2.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.59
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride 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 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride (CID 18758938) is 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride is CN(C)c1nc(CCl)cs1.Cl.Cl.
What is the InChIKey of 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is UVKGUGDQJDWFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S.2ClH/c1-9(2)6-8-5(3-7)4-10-6;;/h4H,3H2,1-2H3;2*1H.
What are the key properties of 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride?
4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 249.59 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 18758938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).