1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol

C7H10F3N3O2S — CID 107304977

IUPAC1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCOCC(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S/c1-15-3-4(14)2-11-6-12-5(13-16-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyPXXDEMFFZXAWGO-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.98
Rot. Bonds5

About 1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol

1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (PubChem CID 107304977) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
PubChem CID107304977
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCOCC(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S/c1-15-3-4(14)2-11-6-12-5(13-16-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyPXXDEMFFZXAWGO-UHFFFAOYSA-N
XLogP0.98
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (CID 107304977) is 1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is COCC(O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The InChIKey is PXXDEMFFZXAWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c1-15-3-4(14)2-11-6-12-5(13-16-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol has a molecular weight of 257.24 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is sourced from PubChem (CID 107304977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).