3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one

C13H12N4OS2 — CID 82516835

IUPAC3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one
SMILESCCn1c(-c2cccs2)ccc(-c2nnc(N)s2)c1=O
InChIInChI=1S/C13H12N4OS2/c1-2-17-9(10-4-3-7-19-10)6-5-8(12(17)18)11-15-16-13(14)20-11/h3-7H,2H2,1H3,(H2,14,16)
InChIKeyZJHUNTWKTNHISA-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.70
Rot. Bonds3

About 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one

3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one (PubChem CID 82516835) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one
PubChem CID82516835
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one
SMILESCCn1c(-c2cccs2)ccc(-c2nnc(N)s2)c1=O
InChIInChI=1S/C13H12N4OS2/c1-2-17-9(10-4-3-7-19-10)6-5-8(12(17)18)11-15-16-13(14)20-11/h3-7H,2H2,1H3,(H2,14,16)
InChIKeyZJHUNTWKTNHISA-UHFFFAOYSA-N
XLogP2.70
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-1-methyl-6-thiophen-2-ylpyridin-2-one
CID 82467248
1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82099867
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
CID 82516774
2-(1-butyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)acetonitrile
CID 82516724
3-(ethylaminomethyl)-1-(2-methoxyethyl)-6-thiophen-2-ylpyridin-2-one
CID 82516590
1-ethyl-3-thiophen-2-ylquinoxalin-2-one
CID 90202221
5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine
CID 81146884
5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 46736490
4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride
CID 22757918
3-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)-2-methylpropanethioamide
CID 82147595
1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
CID 82516710

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one?
The IUPAC name of 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one (CID 82516835) is 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one.
What is the SMILES notation for 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one?
The canonical SMILES for 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one is CCn1c(-c2cccs2)ccc(-c2nnc(N)s2)c1=O.
What is the InChIKey of 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one?
The InChIKey is ZJHUNTWKTNHISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-2-17-9(10-4-3-7-19-10)6-5-8(12(17)18)11-15-16-13(14)20-11/h3-7H,2H2,1H3,(H2,14,16).
What are the key properties of 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one?
3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one has a molecular weight of 304.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-ethyl-6-thiophen-2-ylpyridin-2-one is sourced from PubChem (CID 82516835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).