4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine

C11H13ClN2S2 — CID 79486566

IUPAC4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCN(CCc1cccs1)c1nc(CCl)cs1
InChIInChI=1S/C11H13ClN2S2/c1-14(5-4-10-3-2-6-15-10)11-13-9(7-12)8-16-11/h2-3,6,8H,4-5,7H2,1H3
InChIKeyVZIFMWOKICENEY-UHFFFAOYSA-N
MW272.83 g/mol
LogP3.62
Rot. Bonds5

About 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine

4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine (PubChem CID 79486566) has the molecular formula C11H13ClN2S2 and a molecular weight of 272.83 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
PubChem CID79486566
Molecular FormulaC11H13ClN2S2
Molecular Weight272.83 g/mol
Exact Mass272.02
IUPAC Name4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCN(CCc1cccs1)c1nc(CCl)cs1
InChIInChI=1S/C11H13ClN2S2/c1-14(5-4-10-3-2-6-15-10)11-13-9(7-12)8-16-11/h2-3,6,8H,4-5,7H2,1H3
InChIKeyVZIFMWOKICENEY-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.83
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-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

Related Compounds

methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576618
N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494518
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494680
6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine
CID 79486046
3-[[4-(chloromethyl)-1,3-thiazol-2-yl]-methylamino]propanoic acid
CID 82179899
4-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81062599
N-methyl-3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133484676
[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 79494341
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79494155
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494589
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine (CID 79486566) is 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine is CN(CCc1cccs1)c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is VZIFMWOKICENEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S2/c1-14(5-4-10-3-2-6-15-10)11-13-9(7-12)8-16-11/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 272.83 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79486566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).