2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide

C16H19IN2O2S — CID 86964848

IUPAC2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide
SMILESCCOC(C)c1nc(CC(=O)Nc2ccc(C)c(I)c2)cs1
InChIInChI=1S/C16H19IN2O2S/c1-4-21-11(3)16-19-13(9-22-16)8-15(20)18-12-6-5-10(2)14(17)7-12/h5-7,9,11H,4,8H2,1-3H3,(H,18,20)
InChIKeyVZMVDDJLJBAJDE-UHFFFAOYSA-N
MW430.31 g/mol
LogP4.33
Rot. Bonds6

About 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide

2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide (PubChem CID 86964848) has the molecular formula C16H19IN2O2S and a molecular weight of 430.31 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide
PubChem CID86964848
Molecular FormulaC16H19IN2O2S
Molecular Weight430.31 g/mol
Exact Mass430.02
IUPAC Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide
SMILESCCOC(C)c1nc(CC(=O)Nc2ccc(C)c(I)c2)cs1
InChIInChI=1S/C16H19IN2O2S/c1-4-21-11(3)16-19-13(9-22-16)8-15(20)18-12-6-5-10(2)14(17)7-12/h5-7,9,11H,4,8H2,1-3H3,(H,18,20)
InChIKeyVZMVDDJLJBAJDE-UHFFFAOYSA-N
XLogP4.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 86964826
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 167826871
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111539509
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 46453433
ethyl 4-(3-iodo-4-methylanilino)-4-oxobutanoate
CID 9088231
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide
CID 86964999
2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 60547951
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide
CID 110450636
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38921105
N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 82155229

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide (CID 86964848) is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide is CCOC(C)c1nc(CC(=O)Nc2ccc(C)c(I)c2)cs1.
What is the InChIKey of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide?
The InChIKey is VZMVDDJLJBAJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O2S/c1-4-21-11(3)16-19-13(9-22-16)8-15(20)18-12-6-5-10(2)14(17)7-12/h5-7,9,11H,4,8H2,1-3H3,(H,18,20).
What are the key properties of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide?
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide has a molecular weight of 430.31 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide is sourced from PubChem (CID 86964848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).