2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine

C6H7F2N3S — CID 175421773

IUPAC2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
SMILESNC1C(F)C(c2nncs2)C1F
InChIInChI=1S/C6H7F2N3S/c7-3-2(4(8)5(3)9)6-11-10-1-12-6/h1-5H,9H2
InChIKeyCLCGNQITEBOFOW-UHFFFAOYSA-N
MW191.21 g/mol
LogP0.64
Rot. Bonds1

About 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine

2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine (PubChem CID 175421773) has the molecular formula C6H7F2N3S and a molecular weight of 191.21 g/mol. Its IUPAC name is 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
PubChem CID175421773
Molecular FormulaC6H7F2N3S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Name2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
SMILESNC1C(F)C(c2nncs2)C1F
InChIInChI=1S/C6H7F2N3S/c7-3-2(4(8)5(3)9)6-11-10-1-12-6/h1-5H,9H2
InChIKeyCLCGNQITEBOFOW-UHFFFAOYSA-N
XLogP0.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-Difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 139434807
2-(3,3-Difluorocyclobutyl)-1,3,4-thiadiazole
CID 175891081
2,4-Difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride
CID 175421772
3-Methyl-1-(1,3,4-thiadiazol-2-yl)butan-2-amine
CID 64157611
2-(1,3,4-Thiadiazol-2-yl)pentan-3-amine
CID 64159602

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine (CID 175421773) is 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine is NC1C(F)C(c2nncs2)C1F.
What is the InChIKey of 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
The InChIKey is CLCGNQITEBOFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3S/c7-3-2(4(8)5(3)9)6-11-10-1-12-6/h1-5H,9H2.
What are the key properties of 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine has a molecular weight of 191.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 175421773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).