5-(4-chlorophenyl)thiatriazole

C7H4ClN3S — CID 15121696

IUPAC5-(4-chlorophenyl)thiatriazole
SMILESClc1ccc(-c2nnns2)cc1
InChIInChI=1S/C7H4ClN3S/c8-6-3-1-5(2-4-6)7-9-10-11-12-7/h1-4H
InChIKeyXHKAAWKQHGYYGW-UHFFFAOYSA-N
MW197.65 g/mol
LogP2.25
Rot. Bonds1

About 5-(4-chlorophenyl)thiatriazole

5-(4-chlorophenyl)thiatriazole (PubChem CID 15121696) has the molecular formula C7H4ClN3S and a molecular weight of 197.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)thiatriazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)thiatriazole
PubChem CID15121696
Molecular FormulaC7H4ClN3S
Molecular Weight197.65 g/mol
Exact Mass196.98
IUPAC Name5-(4-chlorophenyl)thiatriazole
SMILESClc1ccc(-c2nnns2)cc1
InChIInChI=1S/C7H4ClN3S/c8-6-3-1-5(2-4-6)7-9-10-11-12-7/h1-4H
InChIKeyXHKAAWKQHGYYGW-UHFFFAOYSA-N
XLogP2.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.65
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-1,2,3,4-thiatriazole
CID 141919
2-Chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
CID 13318775
Sbb059609
CID 2769382
2-(4-Chlorophenyl)-1,3,4-thiadiazole
CID 12480365
5-Phenyl-1,2,3,4-thiatriazole 3-oxide
CID 533869
2-(4-Chlorophenyl)-5-phenyl-1,3,4-selenadiazole
CID 42605429
2-(4-Chlorophenyl)-5-propyl-1,3,4-thiadiazole
CID 134956045
2-(4-Chlorophenyl)-5-(n-butyldisulfanyl)-1,3,4-thiadiazole
CID 138454431
2-(4-Chloro-2-fluorophenyl)-5-iodo-1,3,4-thiadiazole
CID 63383734
2-Chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
CID 63385840
2-Chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole
CID 107993526
2-(4-Chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole
CID 107993537

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)thiatriazole?
The IUPAC name of 5-(4-chlorophenyl)thiatriazole (CID 15121696) is 5-(4-chlorophenyl)thiatriazole.
What is the SMILES notation for 5-(4-chlorophenyl)thiatriazole?
The canonical SMILES for 5-(4-chlorophenyl)thiatriazole is Clc1ccc(-c2nnns2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)thiatriazole?
The InChIKey is XHKAAWKQHGYYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3S/c8-6-3-1-5(2-4-6)7-9-10-11-12-7/h1-4H.
What are the key properties of 5-(4-chlorophenyl)thiatriazole?
5-(4-chlorophenyl)thiatriazole has a molecular weight of 197.65 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)thiatriazole is sourced from PubChem (CID 15121696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).