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

C12H14FN3O2S — CID 60899348

IUPAC1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCc1ccc(NCC(O)COc2cnsn2)cc1F
InChIInChI=1S/C12H14FN3O2S/c1-8-2-3-9(4-11(8)13)14-5-10(17)7-18-12-6-15-19-16-12/h2-4,6,10,14,17H,5,7H2,1H3
InChIKeyFDQSVATZKPHWPU-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.84
Rot. Bonds6

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

1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60899348) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60899348
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCc1ccc(NCC(O)COc2cnsn2)cc1F
InChIInChI=1S/C12H14FN3O2S/c1-8-2-3-9(4-11(8)13)14-5-10(17)7-18-12-6-15-19-16-12/h2-4,6,10,14,17H,5,7H2,1H3
InChIKeyFDQSVATZKPHWPU-UHFFFAOYSA-N
XLogP1.84
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60899348) is 1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is Cc1ccc(NCC(O)COc2cnsn2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is FDQSVATZKPHWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-8-2-3-9(4-11(8)13)14-5-10(17)7-18-12-6-15-19-16-12/h2-4,6,10,14,17H,5,7H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60899348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).