N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide

C15H28N2OS — CID 3337578

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1=NCCS1
InChIInChI=1S/C15H28N2OS/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-15-16-12-13-19-15/h2-13H2,1H3,(H,16,17,18)
InChIKeyZUPVVNAGQBOEBB-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.13
Rot. Bonds10

About N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide (PubChem CID 3337578) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide
PubChem CID3337578
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1=NCCS1
InChIInChI=1S/C15H28N2OS/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-15-16-12-13-19-15/h2-13H2,1H3,(H,16,17,18)
InChIKeyZUPVVNAGQBOEBB-UHFFFAOYSA-N
XLogP4.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide (CID 3337578) is N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide is CCCCCCCCCCCC(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide?
The InChIKey is ZUPVVNAGQBOEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-15-16-12-13-19-15/h2-13H2,1H3,(H,16,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide has a molecular weight of 284.47 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)dodecanamide is sourced from PubChem (CID 3337578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).