1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine

C13H16FN3S — CID 106883474

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCNC(c1snnc1C)c1c(C)cc(C)cc1F
InChIInChI=1S/C13H16FN3S/c1-7-5-8(2)11(10(14)6-7)12(15-4)13-9(3)16-17-18-13/h5-6,12,15H,1-4H3
InChIKeyDYUUNLYBYWKRNP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.91
Rot. Bonds3

About 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine

1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 106883474) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
PubChem CID106883474
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCNC(c1snnc1C)c1c(C)cc(C)cc1F
InChIInChI=1S/C13H16FN3S/c1-7-5-8(2)11(10(14)6-7)12(15-4)13-9(3)16-17-18-13/h5-6,12,15H,1-4H3
InChIKeyDYUUNLYBYWKRNP-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine (CID 106883474) is 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine is CNC(c1snnc1C)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is DYUUNLYBYWKRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-7-5-8(2)11(10(14)6-7)12(15-4)13-9(3)16-17-18-13/h5-6,12,15H,1-4H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 265.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 106883474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).