5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole

C12H8BrF3N2O2S — CID 102714068

IUPAC5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
SMILESFC(F)(F)Oc1ccc(Oc2nc(C3CC3)ns2)cc1Br
InChIInChI=1S/C12H8BrF3N2O2S/c13-8-5-7(3-4-9(8)20-12(14,15)16)19-11-17-10(18-21-11)6-1-2-6/h3-6H,1-2H2
InChIKeyMOPMIUYDCUWPBQ-UHFFFAOYSA-N
MW381.17 g/mol
LogP4.87
Rot. Bonds4

About 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole

5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 102714068) has the molecular formula C12H8BrF3N2O2S and a molecular weight of 381.17 g/mol. Its IUPAC name is 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID102714068
Molecular FormulaC12H8BrF3N2O2S
Molecular Weight381.17 g/mol
Exact Mass379.94
IUPAC Name5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
SMILESFC(F)(F)Oc1ccc(Oc2nc(C3CC3)ns2)cc1Br
InChIInChI=1S/C12H8BrF3N2O2S/c13-8-5-7(3-4-9(8)20-12(14,15)16)19-11-17-10(18-21-11)6-1-2-6/h3-6H,1-2H2
InChIKeyMOPMIUYDCUWPBQ-UHFFFAOYSA-N
XLogP4.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-propan-2-yl-1,2,4-thiadiazole
CID 102714057
5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 65272231
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline
CID 65273837
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273727
3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole
CID 133425354
5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 103483696
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline
CID 65274190
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
CID 102714502
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 107672607
2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene
CID 22618198
[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine
CID 102714960
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
CID 102713947

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole (CID 102714068) is 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole is FC(F)(F)Oc1ccc(Oc2nc(C3CC3)ns2)cc1Br.
What is the InChIKey of 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is MOPMIUYDCUWPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O2S/c13-8-5-7(3-4-9(8)20-12(14,15)16)19-11-17-10(18-21-11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole?
5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 381.17 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 102714068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).