(2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide

C17H22N2O3S — CID 94796280

IUPAC(2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCCOCCO[C@H](C)C(=O)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H22N2O3S/c1-3-21-9-10-22-13(2)17(20)18-11-16-19-15(12-23-16)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeySMJXVBNEVSBGGP-CYBMUJFWSA-N
MW334.44 g/mol
LogP2.87
Rot. Bonds9

About (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide

(2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 94796280) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID94796280
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCCOCCO[C@H](C)C(=O)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H22N2O3S/c1-3-21-9-10-22-13(2)17(20)18-11-16-19-15(12-23-16)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeySMJXVBNEVSBGGP-CYBMUJFWSA-N
XLogP2.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide 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

(2S)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 94796279
(2S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-ethoxyethoxy)propanamide
CID 95287702
1-(3-ethoxypropyl)-2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111225160
(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 157018683
2-methoxy-2-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56785329
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylamino]pentan-2-yl]carbamate
CID 56585905
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900725
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 115608401
1-(2-ethoxyethyl)-3-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111895605
1-(3-butoxypropyl)-2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111240924
(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 94893161

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide (CID 94796280) is (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide is CCOCCO[C@H](C)C(=O)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is SMJXVBNEVSBGGP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-21-9-10-22-13(2)17(20)18-11-16-19-15(12-23-16)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide?
(2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 334.44 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxyethoxy)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 94796280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).