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

C9H7F2N3OS — CID 62195728

IUPAC4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2N3OS/c10-6-2-1-5(3-7(6)11)15-4-8-9(12)16-14-13-8/h1-3H,4,12H2
InChIKeyBWTBOLAWUKLADO-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.98
Rot. Bonds3

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

4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine (PubChem CID 62195728) has the molecular formula C9H7F2N3OS and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine
PubChem CID62195728
Molecular FormulaC9H7F2N3OS
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2N3OS/c10-6-2-1-5(3-7(6)11)15-4-8-9(12)16-14-13-8/h1-3H,4,12H2
InChIKeyBWTBOLAWUKLADO-UHFFFAOYSA-N
XLogP1.98
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.98
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]thiadiazol-5-amine?
The IUPAC name of 4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine (CID 62195728) is 4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine is Nc1snnc1COc1ccc(F)c(F)c1.
What is the InChIKey of 4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine?
The InChIKey is BWTBOLAWUKLADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3OS/c10-6-2-1-5(3-7(6)11)15-4-8-9(12)16-14-13-8/h1-3H,4,12H2.
What are the key properties of 4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine?
4-[(3,4-difluorophenoxy)methyl]thiadiazol-5-amine has a molecular weight of 243.24 g/mol, XLogP of 1.98, 3 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]thiadiazol-5-amine is sourced from PubChem (CID 62195728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).