1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

C12H20N2O2S — CID 63690212

IUPAC1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCOCCN(CC)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C12H20N2O2S/c1-5-14(7-8-16-6-2)12-13-9(3)11(17-12)10(4)15/h5-8H2,1-4H3
InChIKeyCDJZNGQVURGBTB-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.52
Rot. Bonds7

About 1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 63690212) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID63690212
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCOCCN(CC)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C12H20N2O2S/c1-5-14(7-8-16-6-2)12-13-9(3)11(17-12)10(4)15/h5-8H2,1-4H3
InChIKeyCDJZNGQVURGBTB-UHFFFAOYSA-N
XLogP2.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750809
2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765808
1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750125
N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63690382
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
CID 80687134
1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62752167
4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79399183
4-tert-butyl-2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112848
1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750474
4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
CID 134590624
1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
CID 82435586

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 63690212) is 1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is CCOCCN(CC)c1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is CDJZNGQVURGBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-14(7-8-16-6-2)12-13-9(3)11(17-12)10(4)15/h5-8H2,1-4H3.
What are the key properties of 1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 256.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 63690212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).