N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide

C11H19N3O2S — CID 61284998

IUPACN-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCOCCNC(=O)C(C)NCc1csc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-8(11(15)12-4-5-16-3)13-6-10-7-17-9(2)14-10/h7-8,13H,4-6H2,1-3H3,(H,12,15)
InChIKeyGUCDMVOGQAHRCR-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.69
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide

N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 61284998) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID61284998
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCOCCNC(=O)C(C)NCc1csc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-8(11(15)12-4-5-16-3)13-6-10-7-17-9(2)14-10/h7-8,13H,4-6H2,1-3H3,(H,12,15)
InChIKeyGUCDMVOGQAHRCR-UHFFFAOYSA-N
XLogP0.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 103243312
N-(furan-2-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61285392
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332684
N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 62056243
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931
(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 28819853
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
4-[[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103262575
1-(2-methoxyethyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110942560

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide (CID 61284998) is N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide is COCCNC(=O)C(C)NCc1csc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is GUCDMVOGQAHRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(11(15)12-4-5-16-3)13-6-10-7-17-9(2)14-10/h7-8,13H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 257.36 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 61284998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).