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

C11H19N3O2S — CID 115879102

IUPACN-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide
SMILESCOCCNC(=O)CCNC(C)c1cscn1
InChIInChI=1S/C11H19N3O2S/c1-9(10-7-17-8-14-10)12-4-3-11(15)13-5-6-16-2/h7-9,12H,3-6H2,1-2H3,(H,13,15)
InChIKeyVYMBKMKYPILJJO-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.95
Rot. Bonds8

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

N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide (PubChem CID 115879102) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide
PubChem CID115879102
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide
SMILESCOCCNC(=O)CCNC(C)c1cscn1
InChIInChI=1S/C11H19N3O2S/c1-9(10-7-17-8-14-10)12-4-3-11(15)13-5-6-16-2/h7-9,12H,3-6H2,1-2H3,(H,13,15)
InChIKeyVYMBKMKYPILJJO-UHFFFAOYSA-N
XLogP0.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.95
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

N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 112689477
N-(2-methoxyethyl)-3-[1-(3-methylpyrazin-2-yl)ethylamino]propanamide
CID 102612509
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 115712008
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700220
3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700216
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115905492
3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115667940
methyl (2S)-2-[1-(1,3-thiazol-4-yl)ethylamino]propanoate
CID 104865936
N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
CID 113260438
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 79281124
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115676517

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide (CID 115879102) is N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide is COCCNC(=O)CCNC(C)c1cscn1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide?
The InChIKey is VYMBKMKYPILJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(10-7-17-8-14-10)12-4-3-11(15)13-5-6-16-2/h7-9,12H,3-6H2,1-2H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide?
N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide has a molecular weight of 257.36 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide is sourced from PubChem (CID 115879102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).