2-(2-chlorophenyl)-1,3,4-thiadiazole

C8H5ClN2S — CID 130052470

IUPAC2-(2-chlorophenyl)-1,3,4-thiadiazole
SMILESClc1ccccc1-c1nncs1
InChIInChI=1S/C8H5ClN2S/c9-7-4-2-1-3-6(7)8-11-10-5-12-8/h1-5H
InChIKeyIBKQZVGQVDHHNV-UHFFFAOYSA-N
MW196.66 g/mol
LogP2.86
Rot. Bonds1

About 2-(2-chlorophenyl)-1,3,4-thiadiazole

2-(2-chlorophenyl)-1,3,4-thiadiazole (PubChem CID 130052470) has the molecular formula C8H5ClN2S and a molecular weight of 196.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,3,4-thiadiazole
PubChem CID130052470
Molecular FormulaC8H5ClN2S
Molecular Weight196.66 g/mol
Exact Mass195.99
IUPAC Name2-(2-chlorophenyl)-1,3,4-thiadiazole
SMILESClc1ccccc1-c1nncs1
InChIInChI=1S/C8H5ClN2S/c9-7-4-2-1-3-6(7)8-11-10-5-12-8/h1-5H
InChIKeyIBKQZVGQVDHHNV-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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Related Compounds

Chlorzolamide
CID 165323
5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 554211
2-Phenyl-1,3,4-thiadiazole
CID 199501
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
CID 13318775
Sbb059609
CID 2769382
2-(4-Chlorophenyl)-1,3,4-thiadiazole
CID 12480365
5-(2-Chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 974680
2-(4-Fluorophenyl)-1,3,4-thiadiazole
CID 21750329
2-(2-Chlorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 5247654
2-(2-Chlorophenyl)-5-(2-methylphenyl)-1,3,4-thiadiazole
CID 12392097
2-(2,4-Dichlorophenyl)-1,3,4-thiadiazole
CID 21750341

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chlorophenyl)-1,3,4-thiadiazole (CID 130052470) is 2-(2-chlorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-1,3,4-thiadiazole is Clc1ccccc1-c1nncs1.
What is the InChIKey of 2-(2-chlorophenyl)-1,3,4-thiadiazole?
The InChIKey is IBKQZVGQVDHHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S/c9-7-4-2-1-3-6(7)8-11-10-5-12-8/h1-5H.
What are the key properties of 2-(2-chlorophenyl)-1,3,4-thiadiazole?
2-(2-chlorophenyl)-1,3,4-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 2-(2-chlorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130052470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).