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

C8H4ClFN2S — CID 13318779

IUPAC2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cccc(-c2nnc(Cl)s2)c1
InChIInChI=1S/C8H4ClFN2S/c9-8-12-11-7(13-8)5-2-1-3-6(10)4-5/h1-4H
InChIKeyZMKQDJPCUHOFLO-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.00
Rot. Bonds1

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

2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 13318779) has the molecular formula C8H4ClFN2S and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
PubChem CID13318779
Molecular FormulaC8H4ClFN2S
Molecular Weight214.65 g/mol
Exact Mass213.98
IUPAC Name2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cccc(-c2nnc(Cl)s2)c1
InChIInChI=1S/C8H4ClFN2S/c9-8-12-11-7(13-8)5-2-1-3-6(10)4-5/h1-4H
InChIKeyZMKQDJPCUHOFLO-UHFFFAOYSA-N
XLogP3.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole
CID 84689498
2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 158199736
1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
CID 744032
2-chloro-5-(2,5-difluorophenyl)-1,3,4-thiadiazole
CID 63385959
2-chloro-5-(3,4,5-trifluorophenyl)-1,3,4-thiadiazole
CID 63383602
[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280947
2-(3-fluorophenyl)-1,3,4-thiadiazole
CID 130052469
2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
CID 21409148
5-chloro-3-(3-fluorophenyl)pyridazine
CID 117106965
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1444827
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45265519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole (CID 13318779) is 2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole is Fc1cccc(-c2nnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is ZMKQDJPCUHOFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2S/c9-8-12-11-7(13-8)5-2-1-3-6(10)4-5/h1-4H.
What are the key properties of 2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole?
2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole has a molecular weight of 214.65 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 13318779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).