5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine

C9H8FN3OS — CID 811168

IUPAC5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COc2ccccc2F)s1
InChIInChI=1S/C9H8FN3OS/c10-6-3-1-2-4-7(6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKeyODVFNADVLNIXOS-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.84
Rot. Bonds3

About 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine

5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 811168) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID811168
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COc2ccccc2F)s1
InChIInChI=1S/C9H8FN3OS/c10-6-3-1-2-4-7(6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKeyODVFNADVLNIXOS-UHFFFAOYSA-N
XLogP1.84
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
CID 575084
5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685559
5-[3-(4-Fluorophenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7760101
5-[(2,5-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685779
5-[(3-Methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 803234
5-[(3,5-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685558
methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1392231
5-(1-Phenoxyethyl)-1,3,4-thiadiazol-2-amine
CID 3135847
5-[(4-Methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 747905
5-[(2-Ethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 936578
5-[1-(4-Methoxy-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 3155971
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 810814

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine (CID 811168) is 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(COc2ccccc2F)s1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ODVFNADVLNIXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-6-3-1-2-4-7(6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 811168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).