N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide

C16H19N3O2S — CID 2669797

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2nnc(C3CC3)s2)c(C)c1
InChIInChI=1S/C16H19N3O2S/c1-9-6-10(2)14(11(3)7-9)21-8-13(20)17-16-19-18-15(22-16)12-4-5-12/h6-7,12H,4-5,8H2,1-3H3,(H,17,19,20)
InChIKeyWEFIJTSECXLFLS-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.36
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 2669797) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID2669797
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2nnc(C3CC3)s2)c(C)c1
InChIInChI=1S/C16H19N3O2S/c1-9-6-10(2)14(11(3)7-9)21-8-13(20)17-16-19-18-15(22-16)12-4-5-12/h6-7,12H,4-5,8H2,1-3H3,(H,17,19,20)
InChIKeyWEFIJTSECXLFLS-UHFFFAOYSA-N
XLogP3.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 2669797) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2nnc(C3CC3)s2)c(C)c1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is WEFIJTSECXLFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9-6-10(2)14(11(3)7-9)21-8-13(20)17-16-19-18-15(22-16)12-4-5-12/h6-7,12H,4-5,8H2,1-3H3,(H,17,19,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 2669797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).