N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide

C20H35N3O2S — CID 42664145

IUPACN-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
SMILESCCCCCCCCCC(=O)N(CCCCC)CC(=O)Nc1nccs1
InChIInChI=1S/C20H35N3O2S/c1-3-5-7-8-9-10-11-13-19(25)23(15-12-6-4-2)17-18(24)22-20-21-14-16-26-20/h14,16H,3-13,15,17H2,1-2H3,(H,21,22,24)
InChIKeyLIDWZFOHUCUQAD-UHFFFAOYSA-N
MW381.59 g/mol
LogP5.24
Rot. Bonds15

About N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide

N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide (PubChem CID 42664145) has the molecular formula C20H35N3O2S and a molecular weight of 381.59 g/mol. Its IUPAC name is N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
PubChem CID42664145
Molecular FormulaC20H35N3O2S
Molecular Weight381.59 g/mol
Exact Mass381.24
IUPAC NameN-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
SMILESCCCCCCCCCC(=O)N(CCCCC)CC(=O)Nc1nccs1
InChIInChI=1S/C20H35N3O2S/c1-3-5-7-8-9-10-11-13-19(25)23(15-12-6-4-2)17-18(24)22-20-21-14-16-26-20/h14,16H,3-13,15,17H2,1-2H3,(H,21,22,24)
InChIKeyLIDWZFOHUCUQAD-UHFFFAOYSA-N
XLogP5.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide 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

N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
CID 3557830
N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
CID 5169244
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide
CID 4068648
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
CID 5085333
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771464
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide
CID 4151032
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide?
The IUPAC name of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide (CID 42664145) is N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide.
What is the SMILES notation for N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide?
The canonical SMILES for N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide is CCCCCCCCCC(=O)N(CCCCC)CC(=O)Nc1nccs1.
What is the InChIKey of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide?
The InChIKey is LIDWZFOHUCUQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2S/c1-3-5-7-8-9-10-11-13-19(25)23(15-12-6-4-2)17-18(24)22-20-21-14-16-26-20/h14,16H,3-13,15,17H2,1-2H3,(H,21,22,24).
What are the key properties of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide?
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide has a molecular weight of 381.59 g/mol, XLogP of 5.24, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide is sourced from PubChem (CID 42664145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).