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

C18H15N5O2S — CID 22517920

IUPAC2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2nn3c(-c4ccccc4)nnc3s2)c1
InChIInChI=1S/C18H15N5O2S/c1-12-6-5-9-14(10-12)25-11-15(24)19-17-22-23-16(20-21-18(23)26-17)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22,24)
InChIKeyUTNOJDMKDNGFJN-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.18
Rot. Bonds5

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

2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide (PubChem CID 22517920) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
PubChem CID22517920
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2nn3c(-c4ccccc4)nnc3s2)c1
InChIInChI=1S/C18H15N5O2S/c1-12-6-5-9-14(10-12)25-11-15(24)19-17-22-23-16(20-21-18(23)26-17)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22,24)
InChIKeyUTNOJDMKDNGFJN-UHFFFAOYSA-N
XLogP3.18
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 53095762
3-methoxy-N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
CID 22517762
2-(3-methylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247176
N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 5032045
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813917
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 82176492
2-(3-methylphenoxy)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 3531685
2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108726929
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide
CID 22517840
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43952170
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43988847

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide (CID 22517920) is 2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide is Cc1cccc(OCC(=O)Nc2nn3c(-c4ccccc4)nnc3s2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The InChIKey is UTNOJDMKDNGFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-12-6-5-9-14(10-12)25-11-15(24)19-17-22-23-16(20-21-18(23)26-17)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22,24).
What are the key properties of 2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide has a molecular weight of 365.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide is sourced from PubChem (CID 22517920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).