5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole

C10H9ClN2S — CID 65280012

IUPAC5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole
SMILESClC(Cc1ncns1)c1ccccc1
InChIInChI=1S/C10H9ClN2S/c11-9(6-10-12-7-13-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKeyHCFVJTZGQVQUMC-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.06
Rot. Bonds3

About 5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole

5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole (PubChem CID 65280012) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole
PubChem CID65280012
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole
SMILESClC(Cc1ncns1)c1ccccc1
InChIInChI=1S/C10H9ClN2S/c11-9(6-10-12-7-13-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKeyHCFVJTZGQVQUMC-UHFFFAOYSA-N
XLogP3.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine
CID 65280108
5-benzyl-1,2,4-thiadiazole
CID 123702348
5-(2-chloro-3,3-dimethylbutyl)-1,2,4-thiadiazole
CID 65280378
5-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazole
CID 65280384
5-(2-chloro-2-phenylethyl)-3-cyclopropyl-1,2,4-thiadiazole
CID 65280071
2-[2-chloro-2-(4-chlorophenyl)ethyl]-1,3-benzothiazole
CID 66459136
5-(2-bromo-2-cyclopropylethyl)-1,2,4-thiadiazole
CID 65280504
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
N-[cyclopropyl(phenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133408385
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1,3-benzothiazole
CID 66459132
(Chlorobenzyl)silane
CID 23051080
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole (CID 65280012) is 5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole is ClC(Cc1ncns1)c1ccccc1.
What is the InChIKey of 5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole?
The InChIKey is HCFVJTZGQVQUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-9(6-10-12-7-13-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6H2.
What are the key properties of 5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole?
5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole has a molecular weight of 224.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 65280012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).