N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide

C15H17N3O2S — CID 108511411

IUPACN-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C15H17N3O2S/c1-3-10-6-5-7-11(4-2)12(10)17-13(19)14(20)18-15-16-8-9-21-15/h5-9H,3-4H2,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyKPPSEVYIBXSFFH-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.85
Rot. Bonds4

About N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide

N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 108511411) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID108511411
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C15H17N3O2S/c1-3-10-6-5-7-11(4-2)12(10)17-13(19)14(20)18-15-16-8-9-21-15/h5-9H,3-4H2,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyKPPSEVYIBXSFFH-UHFFFAOYSA-N
XLogP2.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.85
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'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide (CID 108511411) is N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide is CCc1cccc(CC)c1NC(=O)C(=O)Nc1nccs1.
What is the InChIKey of N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is KPPSEVYIBXSFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-10-6-5-7-11(4-2)12(10)17-13(19)14(20)18-15-16-8-9-21-15/h5-9H,3-4H2,1-2H3,(H,17,19)(H,16,18,20).
What are the key properties of N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 303.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 108511411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).