N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine

C13H16FN3S — CID 65209129

IUPACN-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1snnc1-c1ccccc1F
InChIInChI=1S/C13H16FN3S/c1-9(2)7-15-8-12-13(16-17-18-12)10-5-3-4-6-11(10)14/h3-6,9,15H,7-8H2,1-2H3
InChIKeyNOXXZCQAGNVBBX-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.09
Rot. Bonds5

About N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65209129) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65209129
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC NameN-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1snnc1-c1ccccc1F
InChIInChI=1S/C13H16FN3S/c1-9(2)7-15-8-12-13(16-17-18-12)10-5-3-4-6-11(10)14/h3-6,9,15H,7-8H2,1-2H3
InChIKeyNOXXZCQAGNVBBX-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 65209129) is N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1snnc1-c1ccccc1F.
What is the InChIKey of N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NOXXZCQAGNVBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-9(2)7-15-8-12-13(16-17-18-12)10-5-3-4-6-11(10)14/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65209129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).