N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide

C21H22N2O3S — CID 60564262

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccccc3OCCOC)n2)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-15-8-10-16(11-9-15)18-14-27-21(22-18)23-20(24)17-6-4-5-7-19(17)26-13-12-25-2/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,24)
InChIKeyOCYOQARYYAOXQC-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.65
Rot. Bonds8

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide (PubChem CID 60564262) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
PubChem CID60564262
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccccc3OCCOC)n2)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-15-8-10-16(11-9-15)18-14-27-21(22-18)23-20(24)17-6-4-5-7-19(17)26-13-12-25-2/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,24)
InChIKeyOCYOQARYYAOXQC-UHFFFAOYSA-N
XLogP4.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.65
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-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 6552731
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
CID 5045693
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119677844
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 27993083
2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 167827153
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326
1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide (CID 60564262) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide is CCc1ccc(-c2csc(NC(=O)c3ccccc3OCCOC)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide?
The InChIKey is OCYOQARYYAOXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-15-8-10-16(11-9-15)18-14-27-21(22-18)23-20(24)17-6-4-5-7-19(17)26-13-12-25-2/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide has a molecular weight of 382.49 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 60564262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).