N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide

C13H22N2O2S — CID 119061685

IUPACN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCCCc1nc(C)c(C)s1
InChIInChI=1S/C13H22N2O2S/c1-5-17-10(3)13(16)14-8-6-7-12-15-9(2)11(4)18-12/h10H,5-8H2,1-4H3,(H,14,16)
InChIKeyRZJVDLROECXRIZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.23
Rot. Bonds7

About N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide

N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide (PubChem CID 119061685) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide
PubChem CID119061685
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCCCc1nc(C)c(C)s1
InChIInChI=1S/C13H22N2O2S/c1-5-17-10(3)13(16)14-8-6-7-12-15-9(2)11(4)18-12/h10H,5-8H2,1-4H3,(H,14,16)
InChIKeyRZJVDLROECXRIZ-UHFFFAOYSA-N
XLogP2.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide 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-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholinecarboxamide
CID 56882442
N-[(4,5-Dimethyl-1,3-thiazol-2-YL)methyl]-2-(2-methoxyethoxy)acetamide
CID 90649803
3-Methoxy-N-{[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-YL]methyl}propanamide
CID 91797845
N-[(4-Ethyl-2-methyl-1,3-thiazol-5-YL)methyl]-2-isopropoxyacetamide
CID 91834512
(2S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]oxolane-2-carboxamide
CID 100186892
(2S)-2-ethoxy-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 126449872
(2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide
CID 126450914
1-(2,6-Dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone
CID 71868850
N-[(2-Ethyl-4-methyl-1,3-thiazol-5-YL)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91764464
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-morpholinyl)acetamide
CID 56888457
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 45251203
2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 47035811

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide?
The IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide (CID 119061685) is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide is CCOC(C)C(=O)NCCCc1nc(C)c(C)s1.
What is the InChIKey of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide?
The InChIKey is RZJVDLROECXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-17-10(3)13(16)14-8-6-7-12-15-9(2)11(4)18-12/h10H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide?
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide has a molecular weight of 270.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide is sourced from PubChem (CID 119061685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).