N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide

C10H17N3O3S — CID 108505333

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C10H17N3O3S/c1-2-16-6-3-4-11-8(14)9(15)13-10-12-5-7-17-10/h2-7H2,1H3,(H,11,14)(H,12,13,15)
InChIKeyHPKJAZLMTVBWRT-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.25
Rot. Bonds5

About N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide (PubChem CID 108505333) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide
PubChem CID108505333
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C10H17N3O3S/c1-2-16-6-3-4-11-8(14)9(15)13-10-12-5-7-17-10/h2-7H2,1H3,(H,11,14)(H,12,13,15)
InChIKeyHPKJAZLMTVBWRT-UHFFFAOYSA-N
XLogP-0.25
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337
N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47225872
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
CID 4614833
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
CID 2209969
N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47147953
[4-[[2-(3-ethoxypropylamino)-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108505304
N'-cyclohexyl-N-(3-ethoxypropyl)-N'-methyloxamide
CID 108503625
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide (CID 108505333) is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)NC1=NCCS1.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide?
The InChIKey is HPKJAZLMTVBWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-16-6-3-4-11-8(14)9(15)13-10-12-5-7-17-10/h2-7H2,1H3,(H,11,14)(H,12,13,15).
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide?
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide has a molecular weight of 259.33 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 108505333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).