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

C11H10BrCl2N3O2S — CID 60899469

IUPAC1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1c(Cl)cc(Br)cc1Cl)COc1cnsn1
InChIInChI=1S/C11H10BrCl2N3O2S/c12-6-1-8(13)11(9(14)2-6)15-3-7(18)5-19-10-4-16-20-17-10/h1-2,4,7,15,18H,3,5H2
InChIKeyBYTYDEHWBICHCV-UHFFFAOYSA-N
MW399.10 g/mol
LogP3.46
Rot. Bonds6

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

1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60899469) has the molecular formula C11H10BrCl2N3O2S and a molecular weight of 399.10 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60899469
Molecular FormulaC11H10BrCl2N3O2S
Molecular Weight399.10 g/mol
Exact Mass396.91
IUPAC Name1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1c(Cl)cc(Br)cc1Cl)COc1cnsn1
InChIInChI=1S/C11H10BrCl2N3O2S/c12-6-1-8(13)11(9(14)2-6)15-3-7(18)5-19-10-4-16-20-17-10/h1-2,4,7,15,18H,3,5H2
InChIKeyBYTYDEHWBICHCV-UHFFFAOYSA-N
XLogP3.46
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.10
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Bromo-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898655
1-(2-Chloro-4-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60899300
1-(4-Bromo-3-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 65437144
1-(4-Bromo-2,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 65467079
1-(2,6-Dichloro-4-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83078554
1-(2-Chloro-4,6-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83087177
1-(3-Chloro-5-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107365519
1-(2-Chloro-5-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107528426
1-(3,5-Dichloro-4-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107574082
1-(4-Bromo-2,5-difluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107611152
1-(2-Bromo-6-chloro-4-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107611509
1-(2-Chloro-6-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 116471686

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60899469) is 1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OC(CNc1c(Cl)cc(Br)cc1Cl)COc1cnsn1.
What is the InChIKey of 1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is BYTYDEHWBICHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2N3O2S/c12-6-1-8(13)11(9(14)2-6)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-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 399.10 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60899469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).