N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine

C11H12FN3S — CID 65209566

IUPACN-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine
SMILESCCNCc1snnc1-c1cccc(F)c1
InChIInChI=1S/C11H12FN3S/c1-2-13-7-10-11(14-15-16-10)8-4-3-5-9(12)6-8/h3-6,13H,2,7H2,1H3
InChIKeyFVSNDPQKNNTHRQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.45
Rot. Bonds4

About N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine

N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine (PubChem CID 65209566) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine
PubChem CID65209566
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC NameN-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine
SMILESCCNCc1snnc1-c1cccc(F)c1
InChIInChI=1S/C11H12FN3S/c1-2-13-7-10-11(14-15-16-10)8-4-3-5-9(12)6-8/h3-6,13H,2,7H2,1H3
InChIKeyFVSNDPQKNNTHRQ-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine (CID 65209566) is N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine is CCNCc1snnc1-c1cccc(F)c1.
What is the InChIKey of N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine?
The InChIKey is FVSNDPQKNNTHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-2-13-7-10-11(14-15-16-10)8-4-3-5-9(12)6-8/h3-6,13H,2,7H2,1H3.
What are the key properties of N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine?
N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine has a molecular weight of 237.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 65209566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).