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

C12H22N2OS — CID 4059701

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide
SMILESCCCCCCCCC(=O)NC1=NCCS1
InChIInChI=1S/C12H22N2OS/c1-2-3-4-5-6-7-8-11(15)14-12-13-9-10-16-12/h2-10H2,1H3,(H,13,14,15)
InChIKeyLLUPRMOXFYRHIO-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.96
Rot. Bonds7

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

N-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide (PubChem CID 4059701) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide
PubChem CID4059701
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide
SMILESCCCCCCCCC(=O)NC1=NCCS1
InChIInChI=1S/C12H22N2OS/c1-2-3-4-5-6-7-8-11(15)14-12-13-9-10-16-12/h2-10H2,1H3,(H,13,14,15)
InChIKeyLLUPRMOXFYRHIO-UHFFFAOYSA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.96
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)nonanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide (CID 4059701) is N-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide is CCCCCCCCC(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide?
The InChIKey is LLUPRMOXFYRHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-3-4-5-6-7-8-11(15)14-12-13-9-10-16-12/h2-10H2,1H3,(H,13,14,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)nonanamide has a molecular weight of 242.39 g/mol, XLogP of 2.96, 7 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)nonanamide is sourced from PubChem (CID 4059701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).