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

C17H22N2O3S — CID 48578355

IUPACN-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)c2cnc(CC)s2)c1
InChIInChI=1S/C17H22N2O3S/c1-3-16-18-11-15(23-16)17(20)19-14-7-5-6-13(10-14)12-22-9-8-21-4-2/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,19,20)
InChIKeyYCVIRTNFQCNDLA-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.51
Rot. Bonds9

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

N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 48578355) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID48578355
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)c2cnc(CC)s2)c1
InChIInChI=1S/C17H22N2O3S/c1-3-16-18-11-15(23-16)17(20)19-14-7-5-6-13(10-14)12-22-9-8-21-4-2/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,19,20)
InChIKeyYCVIRTNFQCNDLA-UHFFFAOYSA-N
XLogP3.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.51
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

2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 86857677
N-(3-acetylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 47425777
N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
CID 55807023
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
CID 78891809
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622317
2-(3-chlorophenyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55806862
methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate
CID 48578248
N-[3-(2-ethoxyethoxymethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55806770
N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 48577750
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 48578355) is N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide is CCOCCOCc1cccc(NC(=O)c2cnc(CC)s2)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YCVIRTNFQCNDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-16-18-11-15(23-16)17(20)19-14-7-5-6-13(10-14)12-22-9-8-21-4-2/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide?
N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48578355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).