5-chloro-4-phenylthiadiazole

C8H5ClN2S — CID 2763635

IUPAC5-chloro-4-phenylthiadiazole
SMILESClc1snnc1-c1ccccc1
InChIInChI=1S/C8H5ClN2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H
InChIKeySQCPDDVZJOHPAZ-UHFFFAOYSA-N
MW196.66 g/mol
LogP2.86
Rot. Bonds1

About 5-chloro-4-phenylthiadiazole

5-chloro-4-phenylthiadiazole (PubChem CID 2763635) has the molecular formula C8H5ClN2S and a molecular weight of 196.66 g/mol. Its IUPAC name is 5-chloro-4-phenylthiadiazole.

Molecular Properties

Compound Name5-chloro-4-phenylthiadiazole
PubChem CID2763635
Molecular FormulaC8H5ClN2S
Molecular Weight196.66 g/mol
Exact Mass195.99
IUPAC Name5-chloro-4-phenylthiadiazole
SMILESClc1snnc1-c1ccccc1
InChIInChI=1S/C8H5ClN2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H
InChIKeySQCPDDVZJOHPAZ-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-phenylthiadiazole?
The IUPAC name of 5-chloro-4-phenylthiadiazole (CID 2763635) is 5-chloro-4-phenylthiadiazole.
What is the SMILES notation for 5-chloro-4-phenylthiadiazole?
The canonical SMILES for 5-chloro-4-phenylthiadiazole is Clc1snnc1-c1ccccc1.
What is the InChIKey of 5-chloro-4-phenylthiadiazole?
The InChIKey is SQCPDDVZJOHPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-chloro-4-phenylthiadiazole?
5-chloro-4-phenylthiadiazole 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 5-chloro-4-phenylthiadiazole is sourced from PubChem (CID 2763635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).