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

C20H19N5O2S — CID 17162969

IUPACN-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide
SMILESCOc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H19N5O2S/c1-12(2)13-4-6-14(7-5-13)18(26)22-16-10-15(8-9-17(16)27-3)19-24-25-11-21-23-20(25)28-19/h4-12H,1-3H3,(H,22,26)
InChIKeyCAIHIDVWOUCKEK-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.24
Rot. Bonds5

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

N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide (PubChem CID 17162969) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide
PubChem CID17162969
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide
SMILESCOc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H19N5O2S/c1-12(2)13-4-6-14(7-5-13)18(26)22-16-10-15(8-9-17(16)27-3)19-24-25-11-21-23-20(25)28-19/h4-12H,1-3H3,(H,22,26)
InChIKeyCAIHIDVWOUCKEK-UHFFFAOYSA-N
XLogP4.24
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-iodo-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17162983
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]propanamide
CID 17163024
2,3-dichloro-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17162984
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-phenylacetamide
CID 17163051
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pentanamide
CID 17163026
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-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-phenoxyacetamide
CID 17163102
2-(2-chlorophenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17163122
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
4-ethyl-N-[2-methoxy-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17066346
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

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide (CID 17162969) is N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide is COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide?
The InChIKey is CAIHIDVWOUCKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-12(2)13-4-6-14(7-5-13)18(26)22-16-10-15(8-9-17(16)27-3)19-24-25-11-21-23-20(25)28-19/h4-12H,1-3H3,(H,22,26).
What are the key properties of N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide?
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 393.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 17162969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).