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

C10H9ClN2S — CID 84689498

IUPAC2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole
SMILESCCc1cccc(-c2nnc(Cl)s2)c1
InChIInChI=1S/C10H9ClN2S/c1-2-7-4-3-5-8(6-7)9-12-13-10(11)14-9/h3-6H,2H2,1H3
InChIKeyISQZNIDIWYCZJF-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.42
Rot. Bonds2

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

2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole (PubChem CID 84689498) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole
PubChem CID84689498
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole
SMILESCCc1cccc(-c2nnc(Cl)s2)c1
InChIInChI=1S/C10H9ClN2S/c1-2-7-4-3-5-8(6-7)9-12-13-10(11)14-9/h3-6H,2H2,1H3
InChIKeyISQZNIDIWYCZJF-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 13318779
2-chloro-4-(3-ethylphenyl)aniline
CID 107607723
5-chloro-3-(3-ethylphenyl)-2-iodothiophene
CID 68915085
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
2,3,5-trichloro-6-(3-ethylphenyl)pyridine
CID 102752691
1-ethyl-3-phenylbenzene;propane
CID 145466525
2,4-diethyl-6-(3-ethylphenyl)benzene-1,3,5-triol
CID 101303320
CID 143725407
CID 143725407
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole
CID 81325135
4-[5-[(3-ethylphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzonitrile
CID 123248914
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 121006251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole (CID 84689498) is 2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole is CCc1cccc(-c2nnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole?
The InChIKey is ISQZNIDIWYCZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-2-7-4-3-5-8(6-7)9-12-13-10(11)14-9/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole?
2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole has a molecular weight of 224.72 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 84689498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).