2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide

C17H11Cl2N5O2S — CID 17162984

IUPAC2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
SMILESCOc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H11Cl2N5O2S/c1-26-13-6-5-9(16-23-24-8-20-22-17(24)27-16)7-12(13)21-15(25)10-3-2-4-11(18)14(10)19/h2-8H,1H3,(H,21,25)
InChIKeyQTOWZYMVOZXXHV-UHFFFAOYSA-N
MW420.28 g/mol
LogP4.42
Rot. Bonds4

About 2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide

2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide (PubChem CID 17162984) has the molecular formula C17H11Cl2N5O2S and a molecular weight of 420.28 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
PubChem CID17162984
Molecular FormulaC17H11Cl2N5O2S
Molecular Weight420.28 g/mol
Exact Mass419.00
IUPAC Name2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
SMILESCOc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H11Cl2N5O2S/c1-26-13-6-5-9(16-23-24-8-20-22-17(24)27-16)7-12(13)21-15(25)10-3-2-4-11(18)14(10)19/h2-8H,1H3,(H,21,25)
InChIKeyQTOWZYMVOZXXHV-UHFFFAOYSA-N
XLogP4.42
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17163122
4-iodo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17162983
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide
CID 17162969
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
CID 17163024
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-phenylacetamide
CID 17163051
5-bromo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pyridine-3-carboxamide
CID 17163066
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pentanamide
CID 17163026
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-phenoxyacetamide
CID 17163102
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17163126
2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17163116
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613
2-bromo-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]benzamide
CID 17176822

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide (CID 17162984) is 2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide is COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The InChIKey is QTOWZYMVOZXXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O2S/c1-26-13-6-5-9(16-23-24-8-20-22-17(24)27-16)7-12(13)21-15(25)10-3-2-4-11(18)14(10)19/h2-8H,1H3,(H,21,25).
What are the key properties of 2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide has a molecular weight of 420.28 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 17162984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).