2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid

C20H26N2O4S — CID 119253437

IUPAC2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
SMILESCCOc1ccc(-c2nc(CC(=O)NCC(CC(C)C)C(=O)O)cs2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-26-17-7-5-14(6-8-17)19-22-16(12-27-19)10-18(23)21-11-15(20(24)25)9-13(2)3/h5-8,12-13,15H,4,9-11H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyYPEBGGDYQVFOLP-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.61
Rot. Bonds10

About 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid

2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid (PubChem CID 119253437) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
PubChem CID119253437
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
SMILESCCOc1ccc(-c2nc(CC(=O)NCC(CC(C)C)C(=O)O)cs2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-26-17-7-5-14(6-8-17)19-22-16(12-27-19)10-18(23)21-11-15(20(24)25)9-13(2)3/h5-8,12-13,15H,4,9-11H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyYPEBGGDYQVFOLP-UHFFFAOYSA-N
XLogP3.61
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
2-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253619
2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
CID 119252744
N-(2-amino-2-ethylbutyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642700
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 55670001
3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119207484
2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 134601459
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid (CID 119253437) is 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid is CCOc1ccc(-c2nc(CC(=O)NCC(CC(C)C)C(=O)O)cs2)cc1.
What is the InChIKey of 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid?
The InChIKey is YPEBGGDYQVFOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-26-17-7-5-14(6-8-17)19-22-16(12-27-19)10-18(23)21-11-15(20(24)25)9-13(2)3/h5-8,12-13,15H,4,9-11H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid?
2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid has a molecular weight of 390.51 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119253437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).