3-oxo-N-(1,3-thiazol-2-yl)dodecanamide

C15H24N2O2S — CID 53238622

IUPAC3-oxo-N-(1,3-thiazol-2-yl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1nccs1
InChIInChI=1S/C15H24N2O2S/c1-2-3-4-5-6-7-8-9-13(18)12-14(19)17-15-16-10-11-20-15/h10-11H,2-9,12H2,1H3,(H,16,17,19)
InChIKeyPWRLMNKYMMIAKS-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.18
Rot. Bonds11

About 3-oxo-N-(1,3-thiazol-2-yl)dodecanamide

3-oxo-N-(1,3-thiazol-2-yl)dodecanamide (PubChem CID 53238622) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-oxo-N-(1,3-thiazol-2-yl)dodecanamide.

Molecular Properties

Compound Name3-oxo-N-(1,3-thiazol-2-yl)dodecanamide
PubChem CID53238622
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-oxo-N-(1,3-thiazol-2-yl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1nccs1
InChIInChI=1S/C15H24N2O2S/c1-2-3-4-5-6-7-8-9-13(18)12-14(19)17-15-16-10-11-20-15/h10-11H,2-9,12H2,1H3,(H,16,17,19)
InChIKeyPWRLMNKYMMIAKS-UHFFFAOYSA-N
XLogP4.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-Oxo-N-2-thiazolylbutanamide
CID 12811
2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 2666601
3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 711478
4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 1246597
2-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 3140495
N-dodecyl-N'-(1,3-thiazol-2-yl)oxamide
CID 581431
N,N'-di(thiazol-2-yl)hexanediamide
CID 486274
N-octyl-N'-(1,3-thiazol-2-yl)propanediamide
CID 53238845
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide
CID 4266920
2-amino-N-(1,3-thiazol-2-yl)pentanamide
CID 43649979
3-Cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 567664
N-(1,3-thiazol-2-yl)pentanamide
CID 4035581

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1,3-thiazol-2-yl)dodecanamide?
The IUPAC name of 3-oxo-N-(1,3-thiazol-2-yl)dodecanamide (CID 53238622) is 3-oxo-N-(1,3-thiazol-2-yl)dodecanamide.
What is the SMILES notation for 3-oxo-N-(1,3-thiazol-2-yl)dodecanamide?
The canonical SMILES for 3-oxo-N-(1,3-thiazol-2-yl)dodecanamide is CCCCCCCCCC(=O)CC(=O)Nc1nccs1.
What is the InChIKey of 3-oxo-N-(1,3-thiazol-2-yl)dodecanamide?
The InChIKey is PWRLMNKYMMIAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-3-4-5-6-7-8-9-13(18)12-14(19)17-15-16-10-11-20-15/h10-11H,2-9,12H2,1H3,(H,16,17,19).
What are the key properties of 3-oxo-N-(1,3-thiazol-2-yl)dodecanamide?
3-oxo-N-(1,3-thiazol-2-yl)dodecanamide has a molecular weight of 296.44 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1,3-thiazol-2-yl)dodecanamide is sourced from PubChem (CID 53238622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).