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

C10H8F3N3OS — CID 65273141

IUPAC4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
SMILESCc1nsc(Oc2ccc(N)cc2C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3OS/c1-5-15-9(18-16-5)17-8-3-2-6(14)4-7(8)10(11,12)13/h2-4H,14H2,1H3
InChIKeyATZZCGZUISSDMV-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.24
Rot. Bonds2

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

4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline (PubChem CID 65273141) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
PubChem CID65273141
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
SMILESCc1nsc(Oc2ccc(N)cc2C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3OS/c1-5-15-9(18-16-5)17-8-3-2-6(14)4-7(8)10(11,12)13/h2-4H,14H2,1H3
InChIKeyATZZCGZUISSDMV-UHFFFAOYSA-N
XLogP3.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-N'-[2-methyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]-5-(trifluoromethyl)phenyl]methanimidamide
CID 66840748
N'-{4-[(3-(tert-butyl)-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl}-N-ethyl-N-methylimidoformamide
CID 66840754
N'-{4-[(3-(tert-butyl)-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl}-N-isopropyl-N-methylimidoformamide
CID 67497388
N-methyl-N'-[2-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-5-(trifluoromethyl)phenyl]-N-propan-2-ylmethanimidamide
CID 68032472
N-[2-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-5-(trifluoromethyl)phenyl]-1-piperidin-1-ylmethanimine
CID 68032478
N-ethyl-N-methyl-N'-[2-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-5-(trifluoromethyl)phenyl]methanimidamide
CID 68032479
N-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N'-ethylethanimidamide
CID 91591358
1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide
CID 139753868
4-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65272957
3-Fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273018
2-Fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273198
5-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273260

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline (CID 65273141) is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline is Cc1nsc(Oc2ccc(N)cc2C(F)(F)F)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline?
The InChIKey is ATZZCGZUISSDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c1-5-15-9(18-16-5)17-8-3-2-6(14)4-7(8)10(11,12)13/h2-4H,14H2,1H3.
What are the key properties of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline?
4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline has a molecular weight of 275.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 65273141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).