1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one

C17H23N3O3S — CID 144706895

IUPAC1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one
SMILESCCCC(=O)c1csc(-c2ccnc(OCCOCCNC)c2)n1
InChIInChI=1S/C17H23N3O3S/c1-3-4-15(21)14-12-24-17(20-14)13-5-6-19-16(11-13)23-10-9-22-8-7-18-2/h5-6,11-12,18H,3-4,7-10H2,1-2H3
InChIKeyZVEDXHGTCUKYTE-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.80
Rot. Bonds11

About 1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one

1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one (PubChem CID 144706895) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one
PubChem CID144706895
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one
SMILESCCCC(=O)c1csc(-c2ccnc(OCCOCCNC)c2)n1
InChIInChI=1S/C17H23N3O3S/c1-3-4-15(21)14-12-24-17(20-14)13-5-6-19-16(11-13)23-10-9-22-8-7-18-2/h5-6,11-12,18H,3-4,7-10H2,1-2H3
InChIKeyZVEDXHGTCUKYTE-UHFFFAOYSA-N
XLogP2.80
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate
CID 90431118
1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543420
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
tert-butyl 2-[2-[3-(2-hydroxyethoxy)propyl]-4-pyridinyl]-1,3-thiazole-4-carboxylate
CID 90431278
3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 22638610
tert-butyl 2-[2-(3-methoxy-3-oxopropyl)-4-pyridinyl]-1,3-thiazole-4-carboxylate
CID 90431094
1-(2-amino-1,3-thiazol-4-yl)butan-1-one
CID 13040576
ethyl 2-[2-[2-(2-aminoethoxy)ethoxy]-4-pyridinyl]-1,3-oxazole-4-carboxylate
CID 118636201
3-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]-2-pyridinyl]propanoic acid
CID 90431099
tert-butyl 2-[2-[3-[2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]ethoxy]propyl]-4-pyridinyl]-1,3-thiazole-4-carboxylate
CID 118641100
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 86914535
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one?
The IUPAC name of 1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one (CID 144706895) is 1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one.
What is the SMILES notation for 1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one?
The canonical SMILES for 1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one is CCCC(=O)c1csc(-c2ccnc(OCCOCCNC)c2)n1.
What is the InChIKey of 1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one?
The InChIKey is ZVEDXHGTCUKYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-4-15(21)14-12-24-17(20-14)13-5-6-19-16(11-13)23-10-9-22-8-7-18-2/h5-6,11-12,18H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one?
1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one has a molecular weight of 349.46 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]-4-pyridinyl]-1,3-thiazol-4-yl]butan-1-one is sourced from PubChem (CID 144706895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).