(2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid

C21H22N2O3S — CID 18343041

IUPAC(2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid
SMILESCc1sc(-c2ccccc2)nc1CCOc1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-19(23-20(27-14)16-5-3-2-4-6-16)11-12-26-17-9-7-15(8-10-17)13-18(22)21(24)25/h2-10,18H,11-13,22H2,1H3,(H,24,25)/t18-/m0/s1
InChIKeyFDYVVESQEMWHRC-SFHVURJKSA-N
MW382.49 g/mol
LogP3.69
Rot. Bonds8

About (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid

(2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid (PubChem CID 18343041) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid
PubChem CID18343041
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name(2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid
SMILESCc1sc(-c2ccccc2)nc1CCOc1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-19(23-20(27-14)16-5-3-2-4-6-16)11-12-26-17-9-7-15(8-10-17)13-18(22)21(24)25/h2-10,18H,11-13,22H2,1H3,(H,24,25)/t18-/m0/s1
InChIKeyFDYVVESQEMWHRC-SFHVURJKSA-N
XLogP3.69
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic 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

methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 10714801
ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate
CID 22676745
(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate
CID 22087790
CID 88967264
CID 88967264
(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
CID 11499578
3-amino-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]methyl]-3-oxopropanoic acid
CID 10862268
(2S)-2-amino-3-(4-undecoxyphenyl)propanoic acid
CID 102330984
2-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid;hydrochloride
CID 118157824
(2S)-2-amino-3-[4-(4-aminobutoxy)phenyl]propanoic acid
CID 142948465
2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole
CID 158731276
2-ethoxy-3-[4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]ethoxy]-3-methylphenyl]propanoic acid
CID 22647431
[1-[6-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indol-2-yl]-2-phosphonoethyl]phosphonic acid
CID 87966433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid (CID 18343041) is (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid is Cc1sc(-c2ccccc2)nc1CCOc1ccc(C[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid?
The InChIKey is FDYVVESQEMWHRC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-19(23-20(27-14)16-5-3-2-4-6-16)11-12-26-17-9-7-15(8-10-17)13-18(22)21(24)25/h2-10,18H,11-13,22H2,1H3,(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid has a molecular weight of 382.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 18343041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).