5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine

C7H9F2N3OS — CID 170550738

IUPAC5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(OCC2CCC2(F)F)s1
InChIInChI=1S/C7H9F2N3OS/c8-7(9)2-1-4(7)3-13-6-12-11-5(10)14-6/h4H,1-3H2,(H2,10,11)
InChIKeyXBWAYOZLNXXIBY-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.54
Rot. Bonds3

About 5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine

5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine (PubChem CID 170550738) has the molecular formula C7H9F2N3OS and a molecular weight of 221.23 g/mol. Its IUPAC name is 5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine
PubChem CID170550738
Molecular FormulaC7H9F2N3OS
Molecular Weight221.23 g/mol
Exact Mass221.04
IUPAC Name5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(OCC2CCC2(F)F)s1
InChIInChI=1S/C7H9F2N3OS/c8-7(9)2-1-4(7)3-13-6-12-11-5(10)14-6/h4H,1-3H2,(H2,10,11)
InChIKeyXBWAYOZLNXXIBY-UHFFFAOYSA-N
XLogP1.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine (CID 170550738) is 5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine is Nc1nnc(OCC2CCC2(F)F)s1.
What is the InChIKey of 5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine?
The InChIKey is XBWAYOZLNXXIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3OS/c8-7(9)2-1-4(7)3-13-6-12-11-5(10)14-6/h4H,1-3H2,(H2,10,11).
What are the key properties of 5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine?
5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine has a molecular weight of 221.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 170550738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).