2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline

C10H8F3N3O2S — CID 103201948

IUPAC2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline
SMILESCOc1ccc(Oc2nnc(C(F)(F)F)s2)cc1N
InChIInChI=1S/C10H8F3N3O2S/c1-17-7-3-2-5(4-6(7)14)18-9-16-15-8(19-9)10(11,12)13/h2-4H,14H2,1H3
InChIKeyVUWDXSHJWWKTIA-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.94
Rot. Bonds3

About 2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline

2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline (PubChem CID 103201948) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline.

Molecular Properties

Compound Name2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline
PubChem CID103201948
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline
SMILESCOc1ccc(Oc2nnc(C(F)(F)F)s2)cc1N
InChIInChI=1S/C10H8F3N3O2S/c1-17-7-3-2-5(4-6(7)14)18-9-16-15-8(19-9)10(11,12)13/h2-4H,14H2,1H3
InChIKeyVUWDXSHJWWKTIA-UHFFFAOYSA-N
XLogP2.94
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline?
The IUPAC name of 2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline (CID 103201948) is 2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline.
What is the SMILES notation for 2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline?
The canonical SMILES for 2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline is COc1ccc(Oc2nnc(C(F)(F)F)s2)cc1N.
What is the InChIKey of 2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline?
The InChIKey is VUWDXSHJWWKTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-17-7-3-2-5(4-6(7)14)18-9-16-15-8(19-9)10(11,12)13/h2-4H,14H2,1H3.
What are the key properties of 2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline?
2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline has a molecular weight of 291.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline is sourced from PubChem (CID 103201948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).