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

C21H18F2N2O4S — CID 134601459

IUPAC2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESCCOc1ccc(-c2nc(CC(=O)NC(C(=O)O)c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-2-29-15-6-3-12(4-7-15)20-24-14(11-30-20)10-18(26)25-19(21(27)28)13-5-8-16(22)17(23)9-13/h3-9,11,19H,2,10H2,1H3,(H,25,26)(H,27,28)
InChIKeyVISDEULPAWNFLK-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.97
Rot. Bonds8

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

2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (PubChem CID 134601459) has the molecular formula C21H18F2N2O4S and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
PubChem CID134601459
Molecular FormulaC21H18F2N2O4S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Name2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESCCOc1ccc(-c2nc(CC(=O)NC(C(=O)O)c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-2-29-15-6-3-12(4-7-15)20-24-14(11-30-20)10-18(26)25-19(21(27)28)13-5-8-16(22)17(23)9-13/h3-9,11,19H,2,10H2,1H3,(H,25,26)(H,27,28)
InChIKeyVISDEULPAWNFLK-UHFFFAOYSA-N
XLogP3.97
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
(2R)-2-phenyl-2-[[2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29134792
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253437
2-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 71949707
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119571076
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51206133
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-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (CID 134601459) is 2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is CCOc1ccc(-c2nc(CC(=O)NC(C(=O)O)c3ccc(F)c(F)c3)cs2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The InChIKey is VISDEULPAWNFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4S/c1-2-29-15-6-3-12(4-7-15)20-24-14(11-30-20)10-18(26)25-19(21(27)28)13-5-8-16(22)17(23)9-13/h3-9,11,19H,2,10H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid has a molecular weight of 432.45 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 134601459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).