3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide

C11H18N2O2S — CID 110678797

IUPAC3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1sc(C)nc1C
InChIInChI=1S/C11H18N2O2S/c1-8-10(16-9(2)13-8)4-5-11(14)12-6-7-15-3/h4-7H2,1-3H3,(H,12,14)
InChIKeyIHIWYLVDFNSEQT-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.46
Rot. Bonds6

About 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 110678797) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide
PubChem CID110678797
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1sc(C)nc1C
InChIInChI=1S/C11H18N2O2S/c1-8-10(16-9(2)13-8)4-5-11(14)12-6-7-15-3/h4-7H2,1-3H3,(H,12,14)
InChIKeyIHIWYLVDFNSEQT-UHFFFAOYSA-N
XLogP1.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
CID 110678784
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide
CID 110678864
3-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82155080
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide
CID 110328764
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentanamide
CID 110395064
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110678832
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332684
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
CID 110395095
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704422
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 120613102
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
CID 120613101
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide (CID 110678797) is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCc1sc(C)nc1C.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is IHIWYLVDFNSEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8-10(16-9(2)13-8)4-5-11(14)12-6-7-15-3/h4-7H2,1-3H3,(H,12,14).
What are the key properties of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide?
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 242.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 110678797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).