1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C11H11F2N3O2S — CID 60896604

IUPAC1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1ccc(F)c(F)c1)COc1cnsn1
InChIInChI=1S/C11H11F2N3O2S/c12-9-2-1-7(3-10(9)13)14-4-8(17)6-18-11-5-15-19-16-11/h1-3,5,8,14,17H,4,6H2
InChIKeyWGPKCDWXPANPET-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.67
Rot. Bonds6

About 1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60896604) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60896604
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1ccc(F)c(F)c1)COc1cnsn1
InChIInChI=1S/C11H11F2N3O2S/c12-9-2-1-7(3-10(9)13)14-4-8(17)6-18-11-5-15-19-16-11/h1-3,5,8,14,17H,4,6H2
InChIKeyWGPKCDWXPANPET-UHFFFAOYSA-N
XLogP1.67
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60896604) is 1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OC(CNc1ccc(F)c(F)c1)COc1cnsn1.
What is the InChIKey of 1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is WGPKCDWXPANPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c12-9-2-1-7(3-10(9)13)14-4-8(17)6-18-11-5-15-19-16-11/h1-3,5,8,14,17H,4,6H2.
What are the key properties of 1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 287.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60896604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).