1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C11H10BrF2N3O2S — CID 60901584

IUPAC1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1c(F)cc(F)cc1Br)COc1cnsn1
InChIInChI=1S/C11H10BrF2N3O2S/c12-8-1-6(13)2-9(14)11(8)15-3-7(18)5-19-10-4-16-20-17-10/h1-2,4,7,15,18H,3,5H2
InChIKeyVZXZJKMCQXARSL-UHFFFAOYSA-N
MW366.19 g/mol
LogP2.43
Rot. Bonds6

About 1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60901584) has the molecular formula C11H10BrF2N3O2S and a molecular weight of 366.19 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60901584
Molecular FormulaC11H10BrF2N3O2S
Molecular Weight366.19 g/mol
Exact Mass364.96
IUPAC Name1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1c(F)cc(F)cc1Br)COc1cnsn1
InChIInChI=1S/C11H10BrF2N3O2S/c12-8-1-6(13)2-9(14)11(8)15-3-7(18)5-19-10-4-16-20-17-10/h1-2,4,7,15,18H,3,5H2
InChIKeyVZXZJKMCQXARSL-UHFFFAOYSA-N
XLogP2.43
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60901584) is 1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OC(CNc1c(F)cc(F)cc1Br)COc1cnsn1.
What is the InChIKey of 1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is VZXZJKMCQXARSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3O2S/c12-8-1-6(13)2-9(14)11(8)15-3-7(18)5-19-10-4-16-20-17-10/h1-2,4,7,15,18H,3,5H2.
What are the key properties of 1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 366.19 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60901584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).