2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide

C18H13Cl2N5O2S — CID 5014969

IUPAC2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
SMILESCc1nnc2sc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nn12
InChIInChI=1S/C18H13Cl2N5O2S/c1-10-22-23-18-25(10)24-17(28-18)11-3-2-4-13(7-11)21-16(26)9-27-15-6-5-12(19)8-14(15)20/h2-8H,9H2,1H3,(H,21,26)
InChIKeyUBGCHBIVUBBVPB-UHFFFAOYSA-N
MW434.31 g/mol
LogP4.49
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide (PubChem CID 5014969) has the molecular formula C18H13Cl2N5O2S and a molecular weight of 434.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
PubChem CID5014969
Molecular FormulaC18H13Cl2N5O2S
Molecular Weight434.31 g/mol
Exact Mass433.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
SMILESCc1nnc2sc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nn12
InChIInChI=1S/C18H13Cl2N5O2S/c1-10-22-23-18-25(10)24-17(28-18)11-3-2-4-13(7-11)21-16(26)9-27-15-6-5-12(19)8-14(15)20/h2-8H,9H2,1H3,(H,21,26)
InChIKeyUBGCHBIVUBBVPB-UHFFFAOYSA-N
XLogP4.49
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16872844
N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
CID 953590
N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-2-phenoxyacetamide
CID 4238649
2-(2-chlorophenoxy)-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17274222
3,6-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 4257373
5-(2,5-dichlorophenyl)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]furan-2-carboxamide
CID 5141690
2-(4-chlorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 1293785
(E)-3-(4-chlorophenyl)-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]prop-2-enamide
CID 17109864
4-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 1017641
5-bromo-2-chloro-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
CID 3932323
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide (CID 5014969) is 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide is Cc1nnc2sc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nn12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The InChIKey is UBGCHBIVUBBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5O2S/c1-10-22-23-18-25(10)24-17(28-18)11-3-2-4-13(7-11)21-16(26)9-27-15-6-5-12(19)8-14(15)20/h2-8H,9H2,1H3,(H,21,26).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide has a molecular weight of 434.31 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide is sourced from PubChem (CID 5014969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).