2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide

C18H16N4O2S — CID 1076248

IUPAC2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESC=CCN(C(=O)COc1ccccc1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C18H16N4O2S/c1-2-12-22(16(23)13-24-15-6-4-3-5-7-15)18-21-20-17(25-18)14-8-10-19-11-9-14/h2-11H,1,12-13H2
InChIKeyLFSGIWTYQGLJOA-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.20
Rot. Bonds7

About 2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide

2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1076248) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1076248
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESC=CCN(C(=O)COc1ccccc1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C18H16N4O2S/c1-2-12-22(16(23)13-24-15-6-4-3-5-7-15)18-21-20-17(25-18)14-8-10-19-11-9-14/h2-11H,1,12-13H2
InChIKeyLFSGIWTYQGLJOA-UHFFFAOYSA-N
XLogP3.20
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 1076248) is 2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is C=CCN(C(=O)COc1ccccc1)c1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is LFSGIWTYQGLJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-2-12-22(16(23)13-24-15-6-4-3-5-7-15)18-21-20-17(25-18)14-8-10-19-11-9-14/h2-11H,1,12-13H2.
What are the key properties of 2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 352.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1076248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).