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

C10H9ClFN3OS — CID 82716677

IUPAC4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H9ClFN3OS/c1-13-10-9(14-15-17-10)5-16-6-2-3-7(11)8(12)4-6/h2-4,13H,5H2,1H3
InChIKeyIPFJWIXMLRBLRR-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.95
Rot. Bonds4

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

4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine (PubChem CID 82716677) has the molecular formula C10H9ClFN3OS and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine
PubChem CID82716677
Molecular FormulaC10H9ClFN3OS
Molecular Weight273.72 g/mol
Exact Mass273.01
IUPAC Name4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H9ClFN3OS/c1-13-10-9(14-15-17-10)5-16-6-2-3-7(11)8(12)4-6/h2-4,13H,5H2,1H3
InChIKeyIPFJWIXMLRBLRR-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine (CID 82716677) is 4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine is CNc1snnc1COc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is IPFJWIXMLRBLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3OS/c1-13-10-9(14-15-17-10)5-16-6-2-3-7(11)8(12)4-6/h2-4,13H,5H2,1H3.
What are the key properties of 4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine?
4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 273.72 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenoxy)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 82716677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).