[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

C21H24N3O3S+ — CID 8024046

IUPAC[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCOc1ccc(-c2csc(NC(=O)C[NH+](C)CCOc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3O3S/c1-24(12-13-27-18-6-4-3-5-7-18)14-20(25)23-21-22-19(15-28-21)16-8-10-17(26-2)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,23,25)/p+1
InChIKeyYXYAWIMPHNVGDU-UHFFFAOYSA-O
MW398.51 g/mol
LogP2.35
Rot. Bonds9

About [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (PubChem CID 8024046) has the molecular formula C21H24N3O3S+ and a molecular weight of 398.51 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
PubChem CID8024046
Molecular FormulaC21H24N3O3S+
Molecular Weight398.51 g/mol
Exact Mass398.15
IUPAC Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCOc1ccc(-c2csc(NC(=O)C[NH+](C)CCOc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3O3S/c1-24(12-13-27-18-6-4-3-5-7-18)14-20(25)23-21-22-19(15-28-21)16-8-10-17(26-2)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,23,25)/p+1
InChIKeyYXYAWIMPHNVGDU-UHFFFAOYSA-O
XLogP2.35
TPSA64.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium with MolForge

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 7948013
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 9100810
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797883
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (CID 8024046) is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is COc1ccc(-c2csc(NC(=O)C[NH+](C)CCOc3ccccc3)n2)cc1.
What is the InChIKey of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The InChIKey is YXYAWIMPHNVGDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3O3S/c1-24(12-13-27-18-6-4-3-5-7-18)14-20(25)23-21-22-19(15-28-21)16-8-10-17(26-2)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,23,25)/p+1.
What are the key properties of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium has a molecular weight of 398.51 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8024046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).