2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C15H11N5O4S — CID 2320014

IUPAC2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccnc2)s1
InChIInChI=1S/C15H11N5O4S/c21-13(9-24-12-5-3-11(4-6-12)20(22)23)17-15-19-18-14(25-15)10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19,21)
InChIKeyYXWWZGQJHLAJGY-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.53
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2320014) has the molecular formula C15H11N5O4S and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2320014
Molecular FormulaC15H11N5O4S
Molecular Weight357.35 g/mol
Exact Mass357.05
IUPAC Name2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccnc2)s1
InChIInChI=1S/C15H11N5O4S/c21-13(9-24-12-5-3-11(4-6-12)20(22)23)17-15-19-18-14(25-15)10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19,21)
InChIKeyYXWWZGQJHLAJGY-UHFFFAOYSA-N
XLogP2.53
TPSA120.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 2320014) is 2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccnc2)s1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YXWWZGQJHLAJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O4S/c21-13(9-24-12-5-3-11(4-6-12)20(22)23)17-15-19-18-14(25-15)10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19,21).
What are the key properties of 2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 357.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2320014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).