methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate

C13H14N2O2S — CID 168909958

IUPACmethyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
SMILESCOC(=O)[C@H](N)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C13H14N2O2S/c1-8-12(18-7-15-8)10-5-3-9(4-6-10)11(14)13(16)17-2/h3-7,11H,14H2,1-2H3/t11-/m1/s1
InChIKeyNEJNTACHPMSTQS-LLVKDONJSA-N
MW262.33 g/mol
LogP2.29
Rot. Bonds3

About methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate

methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate (PubChem CID 168909958) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
PubChem CID168909958
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namemethyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
SMILESCOC(=O)[C@H](N)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C13H14N2O2S/c1-8-12(18-7-15-8)10-5-3-9(4-6-10)11(14)13(16)17-2/h3-7,11H,14H2,1-2H3/t11-/m1/s1
InChIKeyNEJNTACHPMSTQS-LLVKDONJSA-N
XLogP2.29
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate
CID 175819788
(3S)-3-amino-N-(6-aminohexyl)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanamide
CID 167039816
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 157458713
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174157567
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174167362
2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 176572970
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate?
The IUPAC name of methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate (CID 168909958) is methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate?
The canonical SMILES for methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate is COC(=O)[C@H](N)c1ccc(-c2scnc2C)cc1.
What is the InChIKey of methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate?
The InChIKey is NEJNTACHPMSTQS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-12(18-7-15-8)10-5-3-9(4-6-10)11(14)13(16)17-2/h3-7,11H,14H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate?
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate has a molecular weight of 262.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate is sourced from PubChem (CID 168909958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).