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

C13H17N3S — CID 105109451

IUPAC2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1csnn1
InChIInChI=1S/C13H17N3S/c1-9-4-5-11(6-10(9)2)7-12(14-3)13-8-17-16-15-13/h4-6,8,12,14H,7H2,1-3H3
InChIKeyDDSIOUSOQFKGIC-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.66
Rot. Bonds4

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

2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105109451) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID105109451
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1csnn1
InChIInChI=1S/C13H17N3S/c1-9-4-5-11(6-10(9)2)7-12(14-3)13-8-17-16-15-13/h4-6,8,12,14H,7H2,1-3H3
InChIKeyDDSIOUSOQFKGIC-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105175945
2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105095616
2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105085776
N-methyl-2-pyridin-4-yl-1-(thiadiazol-4-yl)ethanamine
CID 105160535
N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105091515
2-(furan-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105177550
N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105151873
1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109845
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105135916
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105158940
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105111380
2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105132366

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (CID 105109451) is 2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is CNC(Cc1ccc(C)c(C)c1)c1csnn1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is DDSIOUSOQFKGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-4-5-11(6-10(9)2)7-12(14-3)13-8-17-16-15-13/h4-6,8,12,14H,7H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105109451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).