4-(3-chlorophenyl)thiadiazole

C8H5ClN2S — CID 12894398

IUPAC4-(3-chlorophenyl)thiadiazole
SMILESClc1cccc(-c2csnn2)c1
InChIInChI=1S/C8H5ClN2S/c9-7-3-1-2-6(4-7)8-5-12-11-10-8/h1-5H
InChIKeyHGHSJESYXWIMMC-UHFFFAOYSA-N
MW196.66 g/mol
LogP2.86
Rot. Bonds1

About 4-(3-chlorophenyl)thiadiazole

4-(3-chlorophenyl)thiadiazole (PubChem CID 12894398) has the molecular formula C8H5ClN2S and a molecular weight of 196.66 g/mol. Its IUPAC name is 4-(3-chlorophenyl)thiadiazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)thiadiazole
PubChem CID12894398
Molecular FormulaC8H5ClN2S
Molecular Weight196.66 g/mol
Exact Mass195.99
IUPAC Name4-(3-chlorophenyl)thiadiazole
SMILESClc1cccc(-c2csnn2)c1
InChIInChI=1S/C8H5ClN2S/c9-7-3-1-2-6(4-7)8-5-12-11-10-8/h1-5H
InChIKeyHGHSJESYXWIMMC-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 4-(3-chlorophenyl)thiadiazole?
The IUPAC name of 4-(3-chlorophenyl)thiadiazole (CID 12894398) is 4-(3-chlorophenyl)thiadiazole.
What is the SMILES notation for 4-(3-chlorophenyl)thiadiazole?
The canonical SMILES for 4-(3-chlorophenyl)thiadiazole is Clc1cccc(-c2csnn2)c1.
What is the InChIKey of 4-(3-chlorophenyl)thiadiazole?
The InChIKey is HGHSJESYXWIMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S/c9-7-3-1-2-6(4-7)8-5-12-11-10-8/h1-5H.
What are the key properties of 4-(3-chlorophenyl)thiadiazole?
4-(3-chlorophenyl)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 4-(3-chlorophenyl)thiadiazole is sourced from PubChem (CID 12894398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).