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

C11H11ClFN3O2S — CID 60901168

IUPAC1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1cccc(Cl)c1F)COc1cnsn1
InChIInChI=1S/C11H11ClFN3O2S/c12-8-2-1-3-9(11(8)13)14-4-7(17)6-18-10-5-15-19-16-10/h1-3,5,7,14,17H,4,6H2
InChIKeyRMWNVFHENGYQOP-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.18
Rot. Bonds6

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

1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60901168) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60901168
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC Name1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1cccc(Cl)c1F)COc1cnsn1
InChIInChI=1S/C11H11ClFN3O2S/c12-8-2-1-3-9(11(8)13)14-4-7(17)6-18-10-5-15-19-16-10/h1-3,5,7,14,17H,4,6H2
InChIKeyRMWNVFHENGYQOP-UHFFFAOYSA-N
XLogP2.18
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60901168) is 1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OC(CNc1cccc(Cl)c1F)COc1cnsn1.
What is the InChIKey of 1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is RMWNVFHENGYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c12-8-2-1-3-9(11(8)13)14-4-7(17)6-18-10-5-15-19-16-10/h1-3,5,7,14,17H,4,6H2.
What are the key properties of 1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 303.75 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60901168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).