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

C17H29N3O2S — CID 581431

IUPACN-dodecyl-N'-(1,3-thiazol-2-yl)oxamide
SMILESCCCCCCCCCCCCNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C17H29N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(21)16(22)20-17-19-13-14-23-17/h13-14H,2-12H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyRYBYKHDWYRKFEL-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.12
Rot. Bonds12

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

N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 581431) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-dodecyl-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID581431
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC NameN-dodecyl-N'-(1,3-thiazol-2-yl)oxamide
SMILESCCCCCCCCCCCCNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C17H29N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(21)16(22)20-17-19-13-14-23-17/h13-14H,2-12H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyRYBYKHDWYRKFEL-UHFFFAOYSA-N
XLogP4.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N1-Cyclopentyl-N2-(thiazol-2-YL)oxalamide
CID 2255489
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2976467
N-Cyclohexyl-N-[(3-methyl-butylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205668
2-(4-Acetylamino-piperidin-1-yl)-N-thiazol-2-yl-acetamide
CID 3220976
N1-(3-methoxypropyl)-N2-(thiazol-2-yl)oxalamide
CID 5061851
3-oxo-N-(1,3-thiazol-2-yl)dodecanamide
CID 53238622
N1-(3-(2-oxopyrrolidin-1-yl)propyl)-N2-(thiazol-2-yl)oxalamide
CID 18588848
N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide
CID 47076630
2-[4-(1,3-Thiazol-2-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 47152076
N-octyl-N'-(1,3-thiazol-2-yl)propanediamide
CID 53238845
N1-cyclopropyl-N2-(thiazol-2-yl)oxalamide
CID 1635128
N-(propan-2-yl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 1841217

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide (CID 581431) is N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide is CCCCCCCCCCCCNC(=O)C(=O)Nc1nccs1.
What is the InChIKey of N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is RYBYKHDWYRKFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(21)16(22)20-17-19-13-14-23-17/h13-14H,2-12H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide?
N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 339.51 g/mol, XLogP of 4.12, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 581431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).