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

C15H17N5OS — CID 50850363

IUPACN,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
SMILESCCN(CC)C(=O)Cc1cccc(-c2nn3cnnc3s2)c1
InChIInChI=1S/C15H17N5OS/c1-3-19(4-2)13(21)9-11-6-5-7-12(8-11)14-18-20-10-16-17-15(20)22-14/h5-8,10H,3-4,9H2,1-2H3
InChIKeyBFORXLNAOGCOIG-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.26
Rot. Bonds5

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

N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide (PubChem CID 50850363) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
PubChem CID50850363
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
SMILESCCN(CC)C(=O)Cc1cccc(-c2nn3cnnc3s2)c1
InChIInChI=1S/C15H17N5OS/c1-3-19(4-2)13(21)9-11-6-5-7-12(8-11)14-18-20-10-16-17-15(20)22-14/h5-8,10H,3-4,9H2,1-2H3
InChIKeyBFORXLNAOGCOIG-UHFFFAOYSA-N
XLogP2.26
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide (CID 50850363) is N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide is CCN(CC)C(=O)Cc1cccc(-c2nn3cnnc3s2)c1.
What is the InChIKey of N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
The InChIKey is BFORXLNAOGCOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-3-19(4-2)13(21)9-11-6-5-7-12(8-11)14-18-20-10-16-17-15(20)22-14/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide?
N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide is sourced from PubChem (CID 50850363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).