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

C18H15N5OS — CID 110401561

IUPAC4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
SMILESO=C(NCCc1nn2cnnc2s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15N5OS/c24-17(19-11-10-16-22-23-12-20-21-18(23)25-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,24)
InChIKeyRIFHCYDZRGCMKE-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.83
Rot. Bonds5

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

4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide (PubChem CID 110401561) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
PubChem CID110401561
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
SMILESO=C(NCCc1nn2cnnc2s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15N5OS/c24-17(19-11-10-16-22-23-12-20-21-18(23)25-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,24)
InChIKeyRIFHCYDZRGCMKE-UHFFFAOYSA-N
XLogP2.83
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The IUPAC name of 4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide (CID 110401561) is 4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The canonical SMILES for 4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide is O=C(NCCc1nn2cnnc2s1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The InChIKey is RIFHCYDZRGCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c24-17(19-11-10-16-22-23-12-20-21-18(23)25-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,24).
What are the key properties of 4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide has a molecular weight of 349.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide is sourced from PubChem (CID 110401561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).