3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole

C14H7Cl3N2S — CID 15252600

IUPAC3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole
SMILESClc1ccc(-c2nsnc2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H7Cl3N2S/c15-9-6-4-8(5-7-9)13-14(19-20-18-13)12-10(16)2-1-3-11(12)17/h1-7H
InChIKeyJIIGUBPEIWCPBD-UHFFFAOYSA-N
MW341.65 g/mol
LogP5.83
Rot. Bonds2

About 3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole

3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole (PubChem CID 15252600) has the molecular formula C14H7Cl3N2S and a molecular weight of 341.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole
PubChem CID15252600
Molecular FormulaC14H7Cl3N2S
Molecular Weight341.65 g/mol
Exact Mass339.94
IUPAC Name3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole
SMILESClc1ccc(-c2nsnc2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H7Cl3N2S/c15-9-6-4-8(5-7-9)13-14(19-20-18-13)12-10(16)2-1-3-11(12)17/h1-7H
InChIKeyJIIGUBPEIWCPBD-UHFFFAOYSA-N
XLogP5.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.65
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine
CID 11820477
1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium
CID 21147400
N-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-2-methylpropanamide
CID 15023188
2-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]-2-hydroxyacetamide
CID 10667452
2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 118807943
4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 131867562
4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol
CID 135666744
N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate
CID 57368703
chlorobenzene;1,2-dichlorobenzene
CID 22250607
2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine
CID 133090494
2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine
CID 134378286

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole (CID 15252600) is 3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole is Clc1ccc(-c2nsnc2-c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole?
The InChIKey is JIIGUBPEIWCPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2S/c15-9-6-4-8(5-7-9)13-14(19-20-18-13)12-10(16)2-1-3-11(12)17/h1-7H.
What are the key properties of 3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole?
3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole has a molecular weight of 341.65 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole is sourced from PubChem (CID 15252600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).