2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid

C13H14N2O3S — CID 104527042

IUPAC2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCOCc1ccc(-c2nc(C(N)C(=O)O)cs2)cc1
InChIInChI=1S/C13H14N2O3S/c1-18-6-8-2-4-9(5-3-8)12-15-10(7-19-12)11(14)13(16)17/h2-5,7,11H,6,14H2,1H3,(H,16,17)
InChIKeyKTQKWKADWHOLQF-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.04
Rot. Bonds5

About 2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527042) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID104527042
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCOCc1ccc(-c2nc(C(N)C(=O)O)cs2)cc1
InChIInChI=1S/C13H14N2O3S/c1-18-6-8-2-4-9(5-3-8)12-15-10(7-19-12)11(14)13(16)17/h2-5,7,11H,6,14H2,1H3,(H,16,17)
InChIKeyKTQKWKADWHOLQF-UHFFFAOYSA-N
XLogP2.04
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527137
2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527011
2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid
CID 104527084
2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527015
methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 70818588
2-amino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527434
2-amino-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527102
2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527032
ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
CID 102139996
4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889074
2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid
CID 104527079
2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 113423150

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid (CID 104527042) is 2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid is COCc1ccc(-c2nc(C(N)C(=O)O)cs2)cc1.
What is the InChIKey of 2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is KTQKWKADWHOLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-18-6-8-2-4-9(5-3-8)12-15-10(7-19-12)11(14)13(16)17/h2-5,7,11H,6,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 278.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).