3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C11H4Cl2N6S2 — CID 45494238

IUPAC3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1cccc(-c2nnc3sc(-c4csnn4)nn23)c1Cl
InChIInChI=1S/C11H4Cl2N6S2/c12-6-3-1-2-5(8(6)13)9-15-16-11-19(9)17-10(21-11)7-4-20-18-14-7/h1-4H
InChIKeyHFCFFUZBHRQHRN-UHFFFAOYSA-N
MW355.24 g/mol
LogP3.68
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 45494238) has the molecular formula C11H4Cl2N6S2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID45494238
Molecular FormulaC11H4Cl2N6S2
Molecular Weight355.24 g/mol
Exact Mass353.93
IUPAC Name3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1cccc(-c2nnc3sc(-c4csnn4)nn23)c1Cl
InChIInChI=1S/C11H4Cl2N6S2/c12-6-3-1-2-5(8(6)13)9-15-16-11-19(9)17-10(21-11)7-4-20-18-14-7/h1-4H
InChIKeyHFCFFUZBHRQHRN-UHFFFAOYSA-N
XLogP3.68
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-chloro-2-fluorophenyl)-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52900257
3-(2-chlorophenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 848731
3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42569136
6-isoquinolin-5-yl-3-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 24874104
3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42569837
3-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-phenyl-1,2-oxazole
CID 42581500
3-(4-chloro-2-fluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45492905
3-(2-chlorophenyl)-6-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42535221
3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2021657
3-(2-chloro-5-fluorophenyl)-6-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51054563
3-(2-methylphenyl)-6-[4-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11713145
6-(2,4-dichlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929606

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 45494238) is 3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Clc1cccc(-c2nnc3sc(-c4csnn4)nn23)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is HFCFFUZBHRQHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2N6S2/c12-6-3-1-2-5(8(6)13)9-15-16-11-19(9)17-10(21-11)7-4-20-18-14-7/h1-4H.
What are the key properties of 3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 355.24 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 45494238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).