N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C13H23N3O3S — CID 47183065

IUPACN-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOCCN(C)CCCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H23N3O3S/c1-11-10-20-13(18)16(11)9-12(17)14-5-4-6-15(2)7-8-19-3/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyIXDUNZSXMBSSCZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.30
Rot. Bonds9

About N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 47183065) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID47183065
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOCCN(C)CCCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H23N3O3S/c1-11-10-20-13(18)16(11)9-12(17)14-5-4-6-15(2)7-8-19-3/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyIXDUNZSXMBSSCZ-UHFFFAOYSA-N
XLogP0.30
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 78846841
[2-[Ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8472013
[2-Oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8472147
n-Isobutyl-2-(4-methyl-2-oxothiazol-3(2h)-yl)acetamide
CID 16381129
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-pentan-3-ylacetamide
CID 16384335
N-ethyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetamide
CID 18145744
N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18160775
N-(1-methoxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18161053
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-N-propylacetamide
CID 18162789
Methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
CID 27682349
N-(2-methoxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 29198602
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 29299803

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 47183065) is N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is COCCN(C)CCCNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is IXDUNZSXMBSSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11-10-20-13(18)16(11)9-12(17)14-5-4-6-15(2)7-8-19-3/h10H,4-9H2,1-3H3,(H,14,17).
What are the key properties of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 0.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 47183065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).