3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol

C7H9F2N3OS — CID 130563465

IUPAC3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol
SMILESOC1CC(Nc2nnc(C(F)F)s2)C1
InChIInChI=1S/C7H9F2N3OS/c8-5(9)6-11-12-7(14-6)10-3-1-4(13)2-3/h3-5,13H,1-2H2,(H,10,12)
InChIKeyCMOGMUDUVADBEO-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.41
Rot. Bonds3

About 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol

3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol (PubChem CID 130563465) has the molecular formula C7H9F2N3OS and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol
PubChem CID130563465
Molecular FormulaC7H9F2N3OS
Molecular Weight221.23 g/mol
Exact Mass221.04
IUPAC Name3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol
SMILESOC1CC(Nc2nnc(C(F)F)s2)C1
InChIInChI=1S/C7H9F2N3OS/c8-5(9)6-11-12-7(14-6)10-3-1-4(13)2-3/h3-5,13H,1-2H2,(H,10,12)
InChIKeyCMOGMUDUVADBEO-UHFFFAOYSA-N
XLogP1.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol (CID 130563465) is 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol is OC1CC(Nc2nnc(C(F)F)s2)C1.
What is the InChIKey of 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol?
The InChIKey is CMOGMUDUVADBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3OS/c8-5(9)6-11-12-7(14-6)10-3-1-4(13)2-3/h3-5,13H,1-2H2,(H,10,12).
What are the key properties of 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol?
3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol has a molecular weight of 221.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 130563465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).