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

C15H17N3O2S — CID 2669945

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H17N3O2S/c1-2-10-5-3-4-6-12(10)20-9-13(19)16-15-18-17-14(21-15)11-7-8-11/h3-6,11H,2,7-9H2,1H3,(H,16,18,19)
InChIKeyNXMCWVULIYGLQN-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.00
Rot. Bonds6

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide (PubChem CID 2669945) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide
PubChem CID2669945
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H17N3O2S/c1-2-10-5-3-4-6-12(10)20-9-13(19)16-15-18-17-14(21-15)11-7-8-11/h3-6,11H,2,7-9H2,1H3,(H,16,18,19)
InChIKeyNXMCWVULIYGLQN-UHFFFAOYSA-N
XLogP3.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.00
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-ethylphenoxy)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide (CID 2669945) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide is CCc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide?
The InChIKey is NXMCWVULIYGLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-10-5-3-4-6-12(10)20-9-13(19)16-15-18-17-14(21-15)11-7-8-11/h3-6,11H,2,7-9H2,1H3,(H,16,18,19).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide has a molecular weight of 303.39 g/mol, XLogP of 3.00, 6 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-ethylphenoxy)acetamide is sourced from PubChem (CID 2669945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).