6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H8Cl2N4O2S — CID 662586

IUPAC6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)c(Cl)c1
InChIInChI=1S/C14H8Cl2N4O2S/c15-8-3-4-10(9(16)6-8)22-7-12-19-20-13(11-2-1-5-21-11)17-18-14(20)23-12/h1-6H,7H2
InChIKeyRSVUNMIJFOWNJN-UHFFFAOYSA-N
MW367.22 g/mol
LogP4.33
Rot. Bonds4

About 6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 662586) has the molecular formula C14H8Cl2N4O2S and a molecular weight of 367.22 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID662586
Molecular FormulaC14H8Cl2N4O2S
Molecular Weight367.22 g/mol
Exact Mass365.97
IUPAC Name6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)c(Cl)c1
InChIInChI=1S/C14H8Cl2N4O2S/c15-8-3-4-10(9(16)6-8)22-7-12-19-20-13(11-2-1-5-21-11)17-18-14(20)23-12/h1-6H,7H2
InChIKeyRSVUNMIJFOWNJN-UHFFFAOYSA-N
XLogP4.33
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-Chlorophenyl)-6-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662518
3-(2-Furyl)-6-[(4-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665474
3-(2-Furyl)-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 937168
6-[(4-Chlorophenoxy)methyl]-3-(2-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665682
6-[5-(4-Chlorophenyl)furan-2-yl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1034418
6-(Furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662529
3-(Furan-2-yl)-6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662677
3-(Furan-2-yl)-6-[(4-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665743
6-(4-Ethoxyphenyl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936014
4-[3-(2-Furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl methyl ether
CID 937643
2,4-Dichlorophenyl [6-(2-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl ether
CID 46203162
3-(2,4-Dichlorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 661697

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 662586) is 6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Clc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)c(Cl)c1.
What is the InChIKey of 6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is RSVUNMIJFOWNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4O2S/c15-8-3-4-10(9(16)6-8)22-7-12-19-20-13(11-2-1-5-21-11)17-18-14(20)23-12/h1-6H,7H2.
What are the key properties of 6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 367.22 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 662586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).