4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine

C10H9F2N3OS — CID 62193681

IUPAC4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1ccc(F)cc1F
InChIInChI=1S/C10H9F2N3OS/c1-13-10-8(14-15-17-10)5-16-9-3-2-6(11)4-7(9)12/h2-4,13H,5H2,1H3
InChIKeyJHQCMMMLPIAPAX-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.44
Rot. Bonds4

About 4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine

4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine (PubChem CID 62193681) has the molecular formula C10H9F2N3OS and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine
PubChem CID62193681
Molecular FormulaC10H9F2N3OS
Molecular Weight257.26 g/mol
Exact Mass257.04
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1ccc(F)cc1F
InChIInChI=1S/C10H9F2N3OS/c1-13-10-8(14-15-17-10)5-16-9-3-2-6(11)4-7(9)12/h2-4,13H,5H2,1H3
InChIKeyJHQCMMMLPIAPAX-UHFFFAOYSA-N
XLogP2.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine (CID 62193681) is 4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine is CNc1snnc1COc1ccc(F)cc1F.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is JHQCMMMLPIAPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3OS/c1-13-10-8(14-15-17-10)5-16-9-3-2-6(11)4-7(9)12/h2-4,13H,5H2,1H3.
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 257.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62193681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).