N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide

C9H12N2O2S — CID 123465394

IUPACN-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(CC=O)cs1
InChIInChI=1S/C9H12N2O2S/c1-2-3-8(13)11-9-10-7(4-5-12)6-14-9/h5-6H,2-4H2,1H3,(H,10,11,13)
InChIKeyZBRCJWYAOPREOT-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.62
Rot. Bonds5

About N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide

N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 123465394) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID123465394
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(CC=O)cs1
InChIInChI=1S/C9H12N2O2S/c1-2-3-8(13)11-9-10-7(4-5-12)6-14-9/h5-6H,2-4H2,1H3,(H,10,11,13)
InChIKeyZBRCJWYAOPREOT-UHFFFAOYSA-N
XLogP1.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
CID 130668454
2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
CID 54546949
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 138577108
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
CID 55555526
methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715992
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide (CID 123465394) is N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(CC=O)cs1.
What is the InChIKey of N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is ZBRCJWYAOPREOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-3-8(13)11-9-10-7(4-5-12)6-14-9/h5-6H,2-4H2,1H3,(H,10,11,13).
What are the key properties of N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide?
N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 212.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 123465394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).