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

C15H20FN3S — CID 106883754

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1snnc1C(C)C)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H20FN3S/c1-8(2)13-15(20-19-18-13)14(17-5)12-10(4)6-9(3)7-11(12)16/h6-8,14,17H,1-5H3
InChIKeyODKANBDWXAKUHM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.73
Rot. Bonds4

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

1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 106883754) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID106883754
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1snnc1C(C)C)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H20FN3S/c1-8(2)13-15(20-19-18-13)14(17-5)12-10(4)6-9(3)7-11(12)16/h6-8,14,17H,1-5H3
InChIKeyODKANBDWXAKUHM-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.73
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-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 106883754) is 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is CNC(c1snnc1C(C)C)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is ODKANBDWXAKUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-8(2)13-15(20-19-18-13)14(17-5)12-10(4)6-9(3)7-11(12)16/h6-8,14,17H,1-5H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 293.41 g/mol, XLogP of 3.73, 4 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-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 106883754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).