5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole

C10H6ClF3N2OS — CID 22229305

IUPAC5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
SMILESFC(F)(F)Oc1ccc(-c2nsc(CCl)n2)cc1
InChIInChI=1S/C10H6ClF3N2OS/c11-5-8-15-9(16-18-8)6-1-3-7(4-2-6)17-10(12,13)14/h1-4H,5H2
InChIKeyWFNJRFRGBGMQGK-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.84
Rot. Bonds3

About 5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole

5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole (PubChem CID 22229305) has the molecular formula C10H6ClF3N2OS and a molecular weight of 294.69 g/mol. Its IUPAC name is 5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
PubChem CID22229305
Molecular FormulaC10H6ClF3N2OS
Molecular Weight294.69 g/mol
Exact Mass293.98
IUPAC Name5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
SMILESFC(F)(F)Oc1ccc(-c2nsc(CCl)n2)cc1
InChIInChI=1S/C10H6ClF3N2OS/c11-5-8-15-9(16-18-8)6-1-3-7(4-2-6)17-10(12,13)14/h1-4H,5H2
InChIKeyWFNJRFRGBGMQGK-UHFFFAOYSA-N
XLogP3.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805
3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 102943740
2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 154074447
4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 116629481
5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 10132392
2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202664
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride
CID 157332265
5-bromo-2-(bromomethyl)-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 58956218
5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole-3-carboxylic acid
CID 22229256
5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole
CID 15133747

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The IUPAC name of 5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole (CID 22229305) is 5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole is FC(F)(F)Oc1ccc(-c2nsc(CCl)n2)cc1.
What is the InChIKey of 5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The InChIKey is WFNJRFRGBGMQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS/c11-5-8-15-9(16-18-8)6-1-3-7(4-2-6)17-10(12,13)14/h1-4H,5H2.
What are the key properties of 5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole has a molecular weight of 294.69 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole is sourced from PubChem (CID 22229305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).