2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide

C14H24N2O2S — CID 86970715

IUPAC2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCOCC(=O)Nc1nc(CCC)c(CC)s1
InChIInChI=1S/C14H24N2O2S/c1-4-7-9-18-10-13(17)16-14-15-11(8-5-2)12(6-3)19-14/h4-10H2,1-3H3,(H,15,16,17)
InChIKeyQMPNUKRBVFEOSJ-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.41
Rot. Bonds9

About 2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide

2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide (PubChem CID 86970715) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide
PubChem CID86970715
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCOCC(=O)Nc1nc(CCC)c(CC)s1
InChIInChI=1S/C14H24N2O2S/c1-4-7-9-18-10-13(17)16-14-15-11(8-5-2)12(6-3)19-14/h4-10H2,1-3H3,(H,15,16,17)
InChIKeyQMPNUKRBVFEOSJ-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide
CID 55904524
2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 11778819
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111475847
1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926677
(2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94635770
3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 56552336
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47064687
2-[2-[(2-chloroacetyl)amino]-5-ethyl-1,3-thiazol-4-yl]acetic acid
CID 141032549
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide
CID 55954055
1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 75424050
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
CID 166277331
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide (CID 86970715) is 2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide is CCCCOCC(=O)Nc1nc(CCC)c(CC)s1.
What is the InChIKey of 2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QMPNUKRBVFEOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-7-9-18-10-13(17)16-14-15-11(8-5-2)12(6-3)19-14/h4-10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide?
2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 284.42 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86970715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).