1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine

C12H15N3S — CID 105120137

IUPAC1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnsn1)c1cc(C)ccc1C
InChIInChI=1S/C12H15N3S/c1-8-4-5-9(2)10(6-8)12(13-3)11-7-14-16-15-11/h4-7,12-13H,1-3H3
InChIKeyZHERDJTWLQWMMZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.46
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine

1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105120137) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105120137
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnsn1)c1cc(C)ccc1C
InChIInChI=1S/C12H15N3S/c1-8-4-5-9(2)10(6-8)12(13-3)11-7-14-16-15-11/h4-7,12-13H,1-3H3
InChIKeyZHERDJTWLQWMMZ-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503
N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102840364
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200164
1-(2,5-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105120600
N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105144099
1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105145535
1-(5-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483741
1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483766
1-(2,5-dimethylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798284
1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105172947
1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43483778
1-(2,5-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483853

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine (CID 105120137) is 1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine is CNC(c1cnsn1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is ZHERDJTWLQWMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-4-5-9(2)10(6-8)12(13-3)11-7-14-16-15-11/h4-7,12-13H,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105120137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).