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

C11H10F3N3O2S — CID 60897689

IUPAC1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(F)c(F)c1F)COc1cnsn1
InChIInChI=1S/C11H10F3N3O2S/c12-7-1-2-8(11(14)10(7)13)15-3-6(18)5-19-9-4-16-20-17-9/h1-2,4,6,15,18H,3,5H2
InChIKeyRIQGIENCJDMRPZ-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.81
Rot. Bonds6

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

1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol (PubChem CID 60897689) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol
PubChem CID60897689
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(F)c(F)c1F)COc1cnsn1
InChIInChI=1S/C11H10F3N3O2S/c12-7-1-2-8(11(14)10(7)13)15-3-6(18)5-19-9-4-16-20-17-9/h1-2,4,6,15,18H,3,5H2
InChIKeyRIQGIENCJDMRPZ-UHFFFAOYSA-N
XLogP1.81
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol?
The IUPAC name of 1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol (CID 60897689) is 1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol?
The canonical SMILES for 1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol is OC(CNc1ccc(F)c(F)c1F)COc1cnsn1.
What is the InChIKey of 1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol?
The InChIKey is RIQGIENCJDMRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c12-7-1-2-8(11(14)10(7)13)15-3-6(18)5-19-9-4-16-20-17-9/h1-2,4,6,15,18H,3,5H2.
What are the key properties of 1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol?
1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol has a molecular weight of 305.28 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-thiadiazol-3-yloxy)-3-(2,3,4-trifluoroanilino)propan-2-ol is sourced from PubChem (CID 60897689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).