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

C17H12ClN5OS — CID 3910179

IUPAC2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nn3cnnc3s2)c1
InChIInChI=1S/C17H12ClN5OS/c18-13-6-4-11(5-7-13)8-15(24)20-14-3-1-2-12(9-14)16-22-23-10-19-21-17(23)25-16/h1-7,9-10H,8H2,(H,20,24)
InChIKeyKKTFLMTXIOOKOX-UHFFFAOYSA-N
MW369.84 g/mol
LogP3.69
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide (PubChem CID 3910179) has the molecular formula C17H12ClN5OS and a molecular weight of 369.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
PubChem CID3910179
Molecular FormulaC17H12ClN5OS
Molecular Weight369.84 g/mol
Exact Mass369.05
IUPAC Name2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nn3cnnc3s2)c1
InChIInChI=1S/C17H12ClN5OS/c18-13-6-4-11(5-7-13)8-15(24)20-14-3-1-2-12(9-14)16-22-23-10-19-21-17(23)25-16/h1-7,9-10H,8H2,(H,20,24)
InChIKeyKKTFLMTXIOOKOX-UHFFFAOYSA-N
XLogP3.69
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
CID 953377
2,5-dichloro-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 3440915
2-(4-bromophenoxy)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17358376
2-(3-methylphenoxy)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 3531685
6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2989995
5-(3-chlorophenyl)-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]furan-2-carboxamide
CID 5032752
3,4-dichloro-N-[[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
CID 3639024
3,4-dimethyl-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 3638789
2-(4-cyclohexylphenoxy)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 5114131
2-(4-chlorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 1293785
3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzoic acid
CID 114351907
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-phenylacetamide
CID 17163051

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide (CID 3910179) is 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nn3cnnc3s2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The InChIKey is KKTFLMTXIOOKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5OS/c18-13-6-4-11(5-7-13)8-15(24)20-14-3-1-2-12(9-14)16-22-23-10-19-21-17(23)25-16/h1-7,9-10H,8H2,(H,20,24).
What are the key properties of 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide has a molecular weight of 369.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide is sourced from PubChem (CID 3910179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).