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

C16H28N2OS — CID 42733025

IUPACN-(5-methyl-1,3-thiazol-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C16H28N2OS/c1-3-4-5-6-7-8-9-10-11-12-15(19)18-16-17-13-14(2)20-16/h13H,3-12H2,1-2H3,(H,17,18,19)
InChIKeyROFLCLRJZDSLIZ-UHFFFAOYSA-N
MW296.48 g/mol
LogP5.31
Rot. Bonds11

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

N-(5-methyl-1,3-thiazol-2-yl)dodecanamide (PubChem CID 42733025) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)dodecanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)dodecanamide
PubChem CID42733025
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C16H28N2OS/c1-3-4-5-6-7-8-9-10-11-12-15(19)18-16-17-13-14(2)20-16/h13H,3-12H2,1-2H3,(H,17,18,19)
InChIKeyROFLCLRJZDSLIZ-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-methyl-1,3-thiazol-2-yl)dodecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 8151663
CID 8151663
CID 2579380
CID 2579380
CID 118726221
CID 118726221
CID 118726223
CID 118726223
CID 145967505
CID 145967505
CID 2673091
CID 2673091
CID 897357
CID 897357
CID 298507
CID 298507
CID 118726222
CID 118726222
CID 145967806
CID 145967806
CID 145969358
CID 145969358
CID 145970464
CID 145970464

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)dodecanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)dodecanamide (CID 42733025) is N-(5-methyl-1,3-thiazol-2-yl)dodecanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)dodecanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)dodecanamide is CCCCCCCCCCCC(=O)Nc1ncc(C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)dodecanamide?
The InChIKey is ROFLCLRJZDSLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-3-4-5-6-7-8-9-10-11-12-15(19)18-16-17-13-14(2)20-16/h13H,3-12H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)dodecanamide?
N-(5-methyl-1,3-thiazol-2-yl)dodecanamide has a molecular weight of 296.48 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)dodecanamide is sourced from PubChem (CID 42733025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).