4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide

C20H21N3O2S — CID 84560731

IUPAC4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCc1ccc(-c2csc(NC(=O)CCCOc3ccccc3N)n2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-8-10-15(11-9-14)17-13-26-20(22-17)23-19(24)7-4-12-25-18-6-3-2-5-16(18)21/h2-3,5-6,8-11,13H,4,7,12,21H2,1H3,(H,22,23,24)
InChIKeyQEFZQOMTNNLYAU-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.50
Rot. Bonds7

About 4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide

4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 84560731) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID84560731
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCc1ccc(-c2csc(NC(=O)CCCOc3ccccc3N)n2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-8-10-15(11-9-14)17-13-26-20(22-17)23-19(24)7-4-12-25-18-6-3-2-5-16(18)21/h2-3,5-6,8-11,13H,4,7,12,21H2,1H3,(H,22,23,24)
InChIKeyQEFZQOMTNNLYAU-UHFFFAOYSA-N
XLogP4.50
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 52715173
4-(2,5-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184106
4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 108769761
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 19228141
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-nitrophenoxy)butanamide
CID 84560881
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 37010082
4-(2,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 19228226
4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751389

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide (CID 84560731) is 4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide is Cc1ccc(-c2csc(NC(=O)CCCOc3ccccc3N)n2)cc1.
What is the InChIKey of 4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is QEFZQOMTNNLYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-8-10-15(11-9-14)17-13-26-20(22-17)23-19(24)7-4-12-25-18-6-3-2-5-16(18)21/h2-3,5-6,8-11,13H,4,7,12,21H2,1H3,(H,22,23,24).
What are the key properties of 4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 367.47 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 84560731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).