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

C11H12FN3O2S — CID 60896447

IUPAC1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1cccc(F)c1)COc1cnsn1
InChIInChI=1S/C11H12FN3O2S/c12-8-2-1-3-9(4-8)13-5-10(16)7-17-11-6-14-18-15-11/h1-4,6,10,13,16H,5,7H2
InChIKeyFNJUXAKQBQJRKI-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.53
Rot. Bonds6

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

1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60896447) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60896447
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1cccc(F)c1)COc1cnsn1
InChIInChI=1S/C11H12FN3O2S/c12-8-2-1-3-9(4-8)13-5-10(16)7-17-11-6-14-18-15-11/h1-4,6,10,13,16H,5,7H2
InChIKeyFNJUXAKQBQJRKI-UHFFFAOYSA-N
XLogP1.53
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60896447) is 1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OC(CNc1cccc(F)c1)COc1cnsn1.
What is the InChIKey of 1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is FNJUXAKQBQJRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c12-8-2-1-3-9(4-8)13-5-10(16)7-17-11-6-14-18-15-11/h1-4,6,10,13,16H,5,7H2.
What are the key properties of 1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 269.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60896447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).