3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol

C8H11F2N3OS — CID 104858587

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNc1nc(C2CC2)ns1
InChIInChI=1S/C8H11F2N3OS/c9-8(10,4-14)3-11-7-12-6(13-15-7)5-1-2-5/h5,14H,1-4H2,(H,11,12,13)
InChIKeyZJLYCWCFQGDTFM-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.46
Rot. Bonds5

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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104858587) has the molecular formula C8H11F2N3OS and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104858587
Molecular FormulaC8H11F2N3OS
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNc1nc(C2CC2)ns1
InChIInChI=1S/C8H11F2N3OS/c9-8(10,4-14)3-11-7-12-6(13-15-7)5-1-2-5/h5,14H,1-4H2,(H,11,12,13)
InChIKeyZJLYCWCFQGDTFM-UHFFFAOYSA-N
XLogP1.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol (CID 104858587) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNc1nc(C2CC2)ns1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is ZJLYCWCFQGDTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3OS/c9-8(10,4-14)3-11-7-12-6(13-15-7)5-1-2-5/h5,14H,1-4H2,(H,11,12,13).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 235.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104858587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).