2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine

C11H12ClN3S — CID 105085776

IUPAC2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1csnn1
InChIInChI=1S/C11H12ClN3S/c1-13-10(11-7-16-15-14-11)6-8-3-2-4-9(12)5-8/h2-5,7,10,13H,6H2,1H3
InChIKeyXUCRGIYMAZAMBF-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.69
Rot. Bonds4

About 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine

2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105085776) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID105085776
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1csnn1
InChIInChI=1S/C11H12ClN3S/c1-13-10(11-7-16-15-14-11)6-8-3-2-4-9(12)5-8/h2-5,7,10,13H,6H2,1H3
InChIKeyXUCRGIYMAZAMBF-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine 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

2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105095616
2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105175945
2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105132366
2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105109451
N-methyl-2-pyridin-4-yl-1-(thiadiazol-4-yl)ethanamine
CID 105160535
[2-(3-methylphenyl)-1-(thiadiazol-4-yl)ethyl]hydrazine
CID 105285012
2-(furan-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105177550
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105091515
N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105085999
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105085844

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (CID 105085776) is 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is CNC(Cc1cccc(Cl)c1)c1csnn1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is XUCRGIYMAZAMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-13-10(11-7-16-15-14-11)6-8-3-2-4-9(12)5-8/h2-5,7,10,13H,6H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 253.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105085776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).