3-oxo-N-(1,3-thiazol-2-yl)pentanamide

C8H10N2O2S — CID 59660018

IUPAC3-oxo-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCC(=O)CC(=O)Nc1nccs1
InChIInChI=1S/C8H10N2O2S/c1-2-6(11)5-7(12)10-8-9-3-4-13-8/h3-4H,2,5H2,1H3,(H,9,10,12)
InChIKeyOWCNPZAJDASURY-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.45
Rot. Bonds4

About 3-oxo-N-(1,3-thiazol-2-yl)pentanamide

3-oxo-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 59660018) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 3-oxo-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name3-oxo-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID59660018
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name3-oxo-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCC(=O)CC(=O)Nc1nccs1
InChIInChI=1S/C8H10N2O2S/c1-2-6(11)5-7(12)10-8-9-3-4-13-8/h3-4H,2,5H2,1H3,(H,9,10,12)
InChIKeyOWCNPZAJDASURY-UHFFFAOYSA-N
XLogP1.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylhydrazinyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 129281286
N-(1,3-thiazol-2-ylcarbamothioyl)propanamide
CID 916869
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
CID 61008690
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837
disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide
CID 53319122

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 3-oxo-N-(1,3-thiazol-2-yl)pentanamide (CID 59660018) is 3-oxo-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 3-oxo-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 3-oxo-N-(1,3-thiazol-2-yl)pentanamide is CCC(=O)CC(=O)Nc1nccs1.
What is the InChIKey of 3-oxo-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is OWCNPZAJDASURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-2-6(11)5-7(12)10-8-9-3-4-13-8/h3-4H,2,5H2,1H3,(H,9,10,12).
What are the key properties of 3-oxo-N-(1,3-thiazol-2-yl)pentanamide?
3-oxo-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 198.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 59660018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).