2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide

C18H24N2O3S — CID 86857677

IUPAC2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cccc(COCCOC(C)C)c2)s1
InChIInChI=1S/C18H24N2O3S/c1-4-17-19-11-16(24-17)18(21)20-15-7-5-6-14(10-15)12-22-8-9-23-13(2)3/h5-7,10-11,13H,4,8-9,12H2,1-3H3,(H,20,21)
InChIKeyUGZPIVCZPVFONS-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.90
Rot. Bonds9

About 2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 86857677) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID86857677
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cccc(COCCOC(C)C)c2)s1
InChIInChI=1S/C18H24N2O3S/c1-4-17-19-11-16(24-17)18(21)20-15-7-5-6-14(10-15)12-22-8-9-23-13(2)3/h5-7,10-11,13H,4,8-9,12H2,1-3H3,(H,20,21)
InChIKeyUGZPIVCZPVFONS-UHFFFAOYSA-N
XLogP3.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
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-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48578355
N-(3-acetylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 47425777
N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide
CID 86861957
3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
CID 119754191
2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 119754179
2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 120590524
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
1-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119306444
(2S,5R)-5-(aminomethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]oxolane-2-carboxamide
CID 120790226
methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate
CID 48578248
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86862579
N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 48577750

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 86857677) is 2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)Nc2cccc(COCCOC(C)C)c2)s1.
What is the InChIKey of 2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UGZPIVCZPVFONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-17-19-11-16(24-17)18(21)20-15-7-5-6-14(10-15)12-22-8-9-23-13(2)3/h5-7,10-11,13H,4,8-9,12H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86857677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).