4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine

C12H13F2N3OS — CID 62193622

IUPAC4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COc1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2N3OS/c1-2-5-15-12-11(16-17-19-12)7-18-8-3-4-9(13)10(14)6-8/h3-4,6,15H,2,5,7H2,1H3
InChIKeyQRALQTQMNFFCBL-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.22
Rot. Bonds6

About 4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine

4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine (PubChem CID 62193622) has the molecular formula C12H13F2N3OS and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine
PubChem CID62193622
Molecular FormulaC12H13F2N3OS
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COc1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2N3OS/c1-2-5-15-12-11(16-17-19-12)7-18-8-3-4-9(13)10(14)6-8/h3-4,6,15H,2,5,7H2,1H3
InChIKeyQRALQTQMNFFCBL-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine (CID 62193622) is 4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1COc1ccc(F)c(F)c1.
What is the InChIKey of 4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is QRALQTQMNFFCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3OS/c1-2-5-15-12-11(16-17-19-12)7-18-8-3-4-9(13)10(14)6-8/h3-4,6,15H,2,5,7H2,1H3.
What are the key properties of 4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine?
4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 285.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenoxy)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62193622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).