3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide

C15H19N3O2S — CID 2974277

IUPAC3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCOCCC(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C15H19N3O2S/c1-2-20-11-10-13(19)16-15-18-17-14(21-15)9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18,19)
InChIKeyZOJJQUGBMCFEGH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.69
Rot. Bonds8

About 3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide

3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 2974277) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID2974277
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCOCCC(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C15H19N3O2S/c1-2-20-11-10-13(19)16-15-18-17-14(21-15)9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18,19)
InChIKeyZOJJQUGBMCFEGH-UHFFFAOYSA-N
XLogP2.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 2974277) is 3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide is CCOCCC(=O)Nc1nnc(CCc2ccccc2)s1.
What is the InChIKey of 3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is ZOJJQUGBMCFEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-20-11-10-13(19)16-15-18-17-14(21-15)9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18,19).
What are the key properties of 3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 2974277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).