2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide

C11H18N2O2S — CID 110328764

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1sc(C)nc1C
InChIInChI=1S/C11H18N2O2S/c1-8-10(16-9(2)13-8)7-11(14)12-5-4-6-15-3/h4-7H2,1-3H3,(H,12,14)
InChIKeyXDBCEHXIWSZJQT-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.46
Rot. Bonds6

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 110328764) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide
PubChem CID110328764
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1sc(C)nc1C
InChIInChI=1S/C11H18N2O2S/c1-8-10(16-9(2)13-8)7-11(14)12-5-4-6-15-3/h4-7H2,1-3H3,(H,12,14)
InChIKeyXDBCEHXIWSZJQT-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-(2-methoxyethyl)propanamide
CID 110678797
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111768785
methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 126482957
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide
CID 110678864
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110372288
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentanamide
CID 110395064
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
CID 110678784
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 111759049
2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
CID 119882678
3-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82155080
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704422
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
CID 29435290

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide (CID 110328764) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cc1sc(C)nc1C.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is XDBCEHXIWSZJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8-10(16-9(2)13-8)7-11(14)12-5-4-6-15-3/h4-7H2,1-3H3,(H,12,14).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide 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 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 110328764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).