N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine

C15H20FN3S — CID 106883728

IUPACN-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1snnc1C)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H20FN3S/c1-5-6-17-14(15-11(4)18-19-20-15)13-10(3)7-9(2)8-12(13)16/h7-8,14,17H,5-6H2,1-4H3
InChIKeyUCDMKZUKIBSMDK-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine

N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 106883728) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID106883728
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1snnc1C)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H20FN3S/c1-5-6-17-14(15-11(4)18-19-20-15)13-10(3)7-9(2)8-12(13)16/h7-8,14,17H,5-6H2,1-4H3
InChIKeyUCDMKZUKIBSMDK-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine (CID 106883728) is N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1snnc1C)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is UCDMKZUKIBSMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-5-6-17-14(15-11(4)18-19-20-15)13-10(3)7-9(2)8-12(13)16/h7-8,14,17H,5-6H2,1-4H3.
What are the key properties of N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 106883728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).