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

C6H9ClN2S — CID 15290884

IUPAC4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CCl)cs1
InChIInChI=1S/C6H9ClN2S/c1-9(2)6-8-5(3-7)4-10-6/h4H,3H2,1-2H3
InChIKeyDMLCXKGYCJOQLY-UHFFFAOYSA-N
MW176.67 g/mol
LogP1.95
Rot. Bonds2

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

4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 15290884) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID15290884
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC Name4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CCl)cs1
InChIInChI=1S/C6H9ClN2S/c1-9(2)6-8-5(3-7)4-10-6/h4H,3H2,1-2H3
InChIKeyDMLCXKGYCJOQLY-UHFFFAOYSA-N
XLogP1.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 51.95
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 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?
The IUPAC name of 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine (CID 15290884) is 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is DMLCXKGYCJOQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S/c1-9(2)6-8-5(3-7)4-10-6/h4H,3H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 176.67 g/mol, XLogP of 1.95, 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 is sourced from PubChem (CID 15290884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).