4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine

C10H10FN3OS — CID 62193893

IUPAC4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1cccc(F)c1
InChIInChI=1S/C10H10FN3OS/c1-12-10-9(13-14-16-10)6-15-8-4-2-3-7(11)5-8/h2-5,12H,6H2,1H3
InChIKeyOWDPWXUFZRUPOK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.30
Rot. Bonds4

About 4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine

4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine (PubChem CID 62193893) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine
PubChem CID62193893
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1cccc(F)c1
InChIInChI=1S/C10H10FN3OS/c1-12-10-9(13-14-16-10)6-15-8-4-2-3-7(11)5-8/h2-5,12H,6H2,1H3
InChIKeyOWDPWXUFZRUPOK-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine (CID 62193893) is 4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine is CNc1snnc1COc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is OWDPWXUFZRUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-12-10-9(13-14-16-10)6-15-8-4-2-3-7(11)5-8/h2-5,12H,6H2,1H3.
What are the key properties of 4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 239.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62193893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).