N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide

C14H23N3O2S — CID 115699387

IUPACN-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESC=C(C)COCCNCc1csc(N(CC)C(C)=O)n1
InChIInChI=1S/C14H23N3O2S/c1-5-17(12(4)18)14-16-13(10-20-14)8-15-6-7-19-9-11(2)3/h10,15H,2,5-9H2,1,3-4H3
InChIKeyARCRJJXZEKDGDU-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.20
Rot. Bonds9

About N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 115699387) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID115699387
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESC=C(C)COCCNCc1csc(N(CC)C(C)=O)n1
InChIInChI=1S/C14H23N3O2S/c1-5-17(12(4)18)14-16-13(10-20-14)8-15-6-7-19-9-11(2)3/h10,15H,2,5-9H2,1,3-4H3
InChIKeyARCRJJXZEKDGDU-UHFFFAOYSA-N
XLogP2.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 106126088
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699192
N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 64569654
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide
CID 103824393
N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66177601
N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115587349
N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43226283
N-ethyl-N-[4-[[(1-methylpyrazol-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 82882559
N-ethyl-N-[4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 106393105
N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 103275565
N-ethyl-N-[4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 64928081
N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115358791

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 115699387) is N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide is C=C(C)COCCNCc1csc(N(CC)C(C)=O)n1.
What is the InChIKey of N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ARCRJJXZEKDGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-17(12(4)18)14-16-13(10-20-14)8-15-6-7-19-9-11(2)3/h10,15H,2,5-9H2,1,3-4H3.
What are the key properties of N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 115699387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).