3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine

C5H8ClN3S — CID 18984635

IUPAC3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CCl)ns1
InChIInChI=1S/C5H8ClN3S/c1-9(2)5-7-4(3-6)8-10-5/h3H2,1-2H3
InChIKeyUUINIJPFNXSOQK-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.34
Rot. Bonds2

About 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine

3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 18984635) has the molecular formula C5H8ClN3S and a molecular weight of 177.66 g/mol. Its IUPAC name is 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID18984635
Molecular FormulaC5H8ClN3S
Molecular Weight177.66 g/mol
Exact Mass177.01
IUPAC Name3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CCl)ns1
InChIInChI=1S/C5H8ClN3S/c1-9(2)5-7-4(3-6)8-10-5/h3H2,1-2H3
InChIKeyUUINIJPFNXSOQK-UHFFFAOYSA-N
XLogP1.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-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

N-(2-chloroethyl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306039
N-(2-chloroethyl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306043
N-(2-chloropropyl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306048
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 107490143
N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107490740
5-(Chloromethyl)-3-methyl-1,2,4-thiadiazole
CID 18411630
3-Chloromethyl-5-guanidino-1,2,4-thiadiazole
CID 20537950
3-(Chloromethyl)-5-methyl-1,2,4-thiadiazole
CID 90142963
3-(Chloromethyl)-4,5-dimethyl-1,2,4-thiadiazol-4-ium
CID 123544741
3-ethyl-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 130156859
N,N,3-trimethyl-1,2,4-thiadiazol-5-amine
CID 130557608
5-chloro-3-(chloromethyl)-1,2,4-thiadiazole;3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 157328580

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 18984635) is 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CCl)ns1.
What is the InChIKey of 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is UUINIJPFNXSOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3S/c1-9(2)5-7-4(3-6)8-10-5/h3H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 177.66 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 18984635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).