3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole

C8H2ClF3N2S — CID 102943984

IUPAC3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole
SMILESFc1cc(-c2nc(Cl)ns2)cc(F)c1F
InChIInChI=1S/C8H2ClF3N2S/c9-8-13-7(15-14-8)3-1-4(10)6(12)5(11)2-3/h1-2H
InChIKeyCTEDWZBTZUGVPO-UHFFFAOYSA-N
MW250.63 g/mol
LogP3.28
Rot. Bonds1

About 3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole

3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole (PubChem CID 102943984) has the molecular formula C8H2ClF3N2S and a molecular weight of 250.63 g/mol. Its IUPAC name is 3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole
PubChem CID102943984
Molecular FormulaC8H2ClF3N2S
Molecular Weight250.63 g/mol
Exact Mass249.96
IUPAC Name3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole
SMILESFc1cc(-c2nc(Cl)ns2)cc(F)c1F
InChIInChI=1S/C8H2ClF3N2S/c9-8-13-7(15-14-8)3-1-4(10)6(12)5(11)2-3/h1-2H
InChIKeyCTEDWZBTZUGVPO-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole
CID 102944122
3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole
CID 102943957
5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
CID 102944127
2-chloro-5-(3,4,5-trifluorophenyl)-1,3,4-thiadiazole
CID 63383602
4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 55217795
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
CID 154500578
3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
CID 102943456
2-chloro-5-(3,4,5-trifluorophenyl)pyridine
CID 57229619
5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66314958
3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
CID 102944087
2,5-bis[2-(3,4,5-trifluorophenyl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 170274999
3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
CID 106694860

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole (CID 102943984) is 3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole is Fc1cc(-c2nc(Cl)ns2)cc(F)c1F.
What is the InChIKey of 3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole?
The InChIKey is CTEDWZBTZUGVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF3N2S/c9-8-13-7(15-14-8)3-1-4(10)6(12)5(11)2-3/h1-2H.
What are the key properties of 3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole?
3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole has a molecular weight of 250.63 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).