5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one

C9H9N3O2S — CID 106520657

IUPAC5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
SMILESCCOc1cncc(-c2n[nH]c(=O)s2)c1
InChIInChI=1S/C9H9N3O2S/c1-2-14-7-3-6(4-10-5-7)8-11-12-9(13)15-8/h3-5H,2H2,1H3,(H,12,13)
InChIKeyQCNWSZBWRTWWHF-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.29
Rot. Bonds3

About 5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one

5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one (PubChem CID 106520657) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
PubChem CID106520657
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
SMILESCCOc1cncc(-c2n[nH]c(=O)s2)c1
InChIInChI=1S/C9H9N3O2S/c1-2-14-7-3-6(4-10-5-7)8-11-12-9(13)15-8/h3-5H,2H2,1H3,(H,12,13)
InChIKeyQCNWSZBWRTWWHF-UHFFFAOYSA-N
XLogP1.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one
CID 106520631
2-(5-ethoxy-3-pyridinyl)-5-methylaniline
CID 82766535
2-(5-ethoxy-3-pyridinyl)-5-fluorophenol
CID 83131100
2-tert-butyl-4-(5-ethoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136769871
3-chloro-4-(5-ethoxy-3-pyridinyl)benzaldehyde
CID 114076484
6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769781
4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563483
methyl 4-[4-(5-ethoxy-3-pyridinyl)phenyl]benzoate
CID 171698039
3-(2,2-difluoroethoxy)-5-ethoxypyridine
CID 150828183
5-(6-iodo-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 135394491
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
2-(5-ethoxy-3-pyridinyl)-4-methylphenol
CID 83131203

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
The IUPAC name of 5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one (CID 106520657) is 5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
The canonical SMILES for 5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one is CCOc1cncc(-c2n[nH]c(=O)s2)c1.
What is the InChIKey of 5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
The InChIKey is QCNWSZBWRTWWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-2-14-7-3-6(4-10-5-7)8-11-12-9(13)15-8/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one has a molecular weight of 223.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 106520657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).