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

C8H4ClFN2S — CID 130052550

IUPAC2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cccc(-c2nncs2)c1Cl
InChIInChI=1S/C8H4ClFN2S/c9-7-5(2-1-3-6(7)10)8-12-11-4-13-8/h1-4H
InChIKeyZNRWCBOZLQMUPC-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.00
Rot. Bonds1

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

2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 130052550) has the molecular formula C8H4ClFN2S and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole
PubChem CID130052550
Molecular FormulaC8H4ClFN2S
Molecular Weight214.65 g/mol
Exact Mass213.98
IUPAC Name2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cccc(-c2nncs2)c1Cl
InChIInChI=1S/C8H4ClFN2S/c9-7-5(2-1-3-6(7)10)8-12-11-4-13-8/h1-4H
InChIKeyZNRWCBOZLQMUPC-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

Analyze 2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole
CID 130052506
2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole
CID 137347251
2-(1,3,4-thiadiazol-2-yl)phenol
CID 135744207
2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole
CID 130052608
2-(1,3,4-thiadiazol-2-yl)aniline
CID 21271879
2-(3-fluorophenyl)-1,3,4-thiadiazole
CID 130052469
2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline
CID 166843941
[5-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine
CID 81448760
2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole
CID 130052576
N-[3-[5-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-1-amine
CID 81448764
3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 115394081
3-amino-5-(2-chloro-3-fluorophenyl)thiophene-2-carbonitrile
CID 81460998

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole (CID 130052550) is 2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole is Fc1cccc(-c2nncs2)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is ZNRWCBOZLQMUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2S/c9-7-5(2-1-3-6(7)10)8-12-11-4-13-8/h1-4H.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole?
2-(2-chloro-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-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130052550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).