2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine

C11H11Cl2N3S — CID 105132366

IUPAC2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)cc1Cl)c1csnn1
InChIInChI=1S/C11H11Cl2N3S/c1-14-10(11-6-17-16-15-11)4-7-2-3-8(12)5-9(7)13/h2-3,5-6,10,14H,4H2,1H3
InChIKeyMITGGJIGWKYCKY-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.35
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine

2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105132366) has the molecular formula C11H11Cl2N3S and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID105132366
Molecular FormulaC11H11Cl2N3S
Molecular Weight288.20 g/mol
Exact Mass287.01
IUPAC Name2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)cc1Cl)c1csnn1
InChIInChI=1S/C11H11Cl2N3S/c1-14-10(11-6-17-16-15-11)4-7-2-3-8(12)5-9(7)13/h2-3,5-6,10,14H,4H2,1H3
InChIKeyMITGGJIGWKYCKY-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105085776
2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105175945
N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105091515
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105135916
1-(4-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105076130
N-methyl-2-pyridin-4-yl-1-(thiadiazol-4-yl)ethanamine
CID 105160535
2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105109451
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105150939
2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115840099
1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]thiourea
CID 166237256
2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105095616
1-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 43314686

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (CID 105132366) is 2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is CNC(Cc1ccc(Cl)cc1Cl)c1csnn1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is MITGGJIGWKYCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S/c1-14-10(11-6-17-16-15-11)4-7-2-3-8(12)5-9(7)13/h2-3,5-6,10,14H,4H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 288.20 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105132366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).