3-chloro-4-phenyl-1,2,5-thiadiazole

C8H5ClN2S — CID 2764044

IUPAC3-chloro-4-phenyl-1,2,5-thiadiazole
SMILESClc1nsnc1-c1ccccc1
InChIInChI=1S/C8H5ClN2S/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H
InChIKeyAKHLEAKSFDZHLQ-UHFFFAOYSA-N
MW196.66 g/mol
LogP2.86
Rot. Bonds1

About 3-chloro-4-phenyl-1,2,5-thiadiazole

3-chloro-4-phenyl-1,2,5-thiadiazole (PubChem CID 2764044) has the molecular formula C8H5ClN2S and a molecular weight of 196.66 g/mol. Its IUPAC name is 3-chloro-4-phenyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-phenyl-1,2,5-thiadiazole
PubChem CID2764044
Molecular FormulaC8H5ClN2S
Molecular Weight196.66 g/mol
Exact Mass195.99
IUPAC Name3-chloro-4-phenyl-1,2,5-thiadiazole
SMILESClc1nsnc1-c1ccccc1
InChIInChI=1S/C8H5ClN2S/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H
InChIKeyAKHLEAKSFDZHLQ-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-phenyl-1,2,5-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

4-chloro-5-phenyl-2H-triazole
CID 57403236
3,4-Diphenyl-1,2,5-thiadiazole
CID 585569
3-Methyl-4-phenyl-1,2,5-thiadiazole
CID 12503516
3-Chloro-4-(4-nitro-phenyl)-[1,2,5]thiadiazole
CID 10705299
3-Bromo-4-phenyl-1,2,5-thiadiazole
CID 10900767
3-(4-Chlorophenyl)-4-phenyl-1,2,5-thiadiazole
CID 11086920
3-Amino-4-phenyl-1,2,5-thiadiazole
CID 12366044
3-Bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole
CID 15252597
4-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole
CID 99803496
3-Fluoro-4-phenyl-1,2,5-thiadiazole
CID 13537735
1,2,5-Selenadiazole, 3,4-diphenyl-
CID 602988
3-(Chloromethyl)-4-phenyl-1,2,5-thiadiazole
CID 10632283

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-phenyl-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-phenyl-1,2,5-thiadiazole (CID 2764044) is 3-chloro-4-phenyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-phenyl-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-phenyl-1,2,5-thiadiazole is Clc1nsnc1-c1ccccc1.
What is the InChIKey of 3-chloro-4-phenyl-1,2,5-thiadiazole?
The InChIKey is AKHLEAKSFDZHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 3-chloro-4-phenyl-1,2,5-thiadiazole?
3-chloro-4-phenyl-1,2,5-thiadiazole has a molecular weight of 196.66 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-phenyl-1,2,5-thiadiazole is sourced from PubChem (CID 2764044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).