N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide

C23H41N3O2S — CID 42769910

IUPACN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCCCC)CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C23H41N3O2S/c1-4-6-8-9-10-11-12-13-14-16-22(28)26(17-15-7-5-2)18-21(27)25-23-24-20(3)19-29-23/h19H,4-18H2,1-3H3,(H,24,25,27)
InChIKeyWHHNLIZGAGMCOZ-UHFFFAOYSA-N
MW423.67 g/mol
LogP6.33
Rot. Bonds17

About N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide

N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide (PubChem CID 42769910) has the molecular formula C23H41N3O2S and a molecular weight of 423.67 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
PubChem CID42769910
Molecular FormulaC23H41N3O2S
Molecular Weight423.67 g/mol
Exact Mass423.29
IUPAC NameN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCCCC)CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C23H41N3O2S/c1-4-6-8-9-10-11-12-13-14-16-22(28)26(17-15-7-5-2)18-21(27)25-23-24-20(3)19-29-23/h19H,4-18H2,1-3H3,(H,24,25,27)
InChIKeyWHHNLIZGAGMCOZ-UHFFFAOYSA-N
XLogP6.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.67
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide 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-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 3558431
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide
CID 4188240
2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 4063558
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 5078551
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
2-chloro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4076397
3-cyclopentyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42771431
3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium
CID 7418057
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide?
The IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide (CID 42769910) is N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide.
What is the SMILES notation for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide?
The canonical SMILES for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide is CCCCCCCCCCCC(=O)N(CCCCC)CC(=O)Nc1nc(C)cs1.
What is the InChIKey of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide?
The InChIKey is WHHNLIZGAGMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O2S/c1-4-6-8-9-10-11-12-13-14-16-22(28)26(17-15-7-5-2)18-21(27)25-23-24-20(3)19-29-23/h19H,4-18H2,1-3H3,(H,24,25,27).
What are the key properties of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide?
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide has a molecular weight of 423.67 g/mol, XLogP of 6.33, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide is sourced from PubChem (CID 42769910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).