2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

C14H12N4O2S — CID 2669942

IUPAC2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H12N4O2S/c15-7-10-3-1-2-4-11(10)20-8-12(19)16-14-18-17-13(21-14)9-5-6-9/h1-4,9H,5-6,8H2,(H,16,18,19)
InChIKeyGENRBMBRQQDURA-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2669942) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2669942
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H12N4O2S/c15-7-10-3-1-2-4-11(10)20-8-12(19)16-14-18-17-13(21-14)9-5-6-9/h1-4,9H,5-6,8H2,(H,16,18,19)
InChIKeyGENRBMBRQQDURA-UHFFFAOYSA-N
XLogP2.30
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2669942) is 2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is N#Cc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GENRBMBRQQDURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-7-10-3-1-2-4-11(10)20-8-12(19)16-14-18-17-13(21-14)9-5-6-9/h1-4,9H,5-6,8H2,(H,16,18,19).
What are the key properties of 2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 300.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2669942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).