N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide

C13H21N3O2S — CID 3116902

IUPACN-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C13H21N3O2S/c1-3-5-6-10(4-2)9-15-11(17)12(18)16-13-14-7-8-19-13/h7-8,10H,3-6,9H2,1-2H3,(H,15,17)(H,14,16,18)
InChIKeyYSSHYLMZHQUAKD-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.41
Rot. Bonds7

About N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide

N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 3116902) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID3116902
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C13H21N3O2S/c1-3-5-6-10(4-2)9-15-11(17)12(18)16-13-14-7-8-19-13/h7-8,10H,3-6,9H2,1-2H3,(H,15,17)(H,14,16,18)
InChIKeyYSSHYLMZHQUAKD-UHFFFAOYSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylhexyl)-N'-(1,3-thiazol-5-yl)oxamide
CID 17201967
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
CID 4272614
N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47205589
N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
CID 4656011
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 18589155
1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine
CID 597966
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
CID 2291750
2-(2-ethylhexylcarbamoyl)thiophene-3-carboxylic acid
CID 135271179

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide (CID 3116902) is N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide is CCCCC(CC)CNC(=O)C(=O)Nc1nccs1.
What is the InChIKey of N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is YSSHYLMZHQUAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-5-6-10(4-2)9-15-11(17)12(18)16-13-14-7-8-19-13/h7-8,10H,3-6,9H2,1-2H3,(H,15,17)(H,14,16,18).
What are the key properties of N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide?
N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 283.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 3116902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).