4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine

C10H9F2N3OS — CID 114276784

IUPAC4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine
SMILESCc1cc(F)c(F)cc1OCc1nnsc1N
InChIInChI=1S/C10H9F2N3OS/c1-5-2-6(11)7(12)3-9(5)16-4-8-10(13)17-15-14-8/h2-3H,4,13H2,1H3
InChIKeyCSTAXWDAWVOHRD-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.29
Rot. Bonds3

About 4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine

4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine (PubChem CID 114276784) has the molecular formula C10H9F2N3OS and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine
PubChem CID114276784
Molecular FormulaC10H9F2N3OS
Molecular Weight257.26 g/mol
Exact Mass257.04
IUPAC Name4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine
SMILESCc1cc(F)c(F)cc1OCc1nnsc1N
InChIInChI=1S/C10H9F2N3OS/c1-5-2-6(11)7(12)3-9(5)16-4-8-10(13)17-15-14-8/h2-3H,4,13H2,1H3
InChIKeyCSTAXWDAWVOHRD-UHFFFAOYSA-N
XLogP2.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine (CID 114276784) is 4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine is Cc1cc(F)c(F)cc1OCc1nnsc1N.
What is the InChIKey of 4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine?
The InChIKey is CSTAXWDAWVOHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3OS/c1-5-2-6(11)7(12)3-9(5)16-4-8-10(13)17-15-14-8/h2-3H,4,13H2,1H3.
What are the key properties of 4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine?
4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine has a molecular weight of 257.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 114276784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).