N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C16H15FN4S — CID 133467718

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(c1ccc(F)cc1)N(C)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H15FN4S/c1-11(12-6-8-13(17)9-7-12)21(2)16-20-19-15(22-16)14-5-3-4-10-18-14/h3-11H,1-2H3
InChIKeySVLULQVJGBOQNF-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.94
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133467718) has the molecular formula C16H15FN4S and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133467718
Molecular FormulaC16H15FN4S
Molecular Weight314.39 g/mol
Exact Mass314.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(c1ccc(F)cc1)N(C)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H15FN4S/c1-11(12-6-8-13(17)9-7-12)21(2)16-20-19-15(22-16)14-5-3-4-10-18-14/h3-11H,1-2H3
InChIKeySVLULQVJGBOQNF-UHFFFAOYSA-N
XLogP3.94
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133467718) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CC(c1ccc(F)cc1)N(C)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is SVLULQVJGBOQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4S/c1-11(12-6-8-13(17)9-7-12)21(2)16-20-19-15(22-16)14-5-3-4-10-18-14/h3-11H,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 314.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133467718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).