2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid

C13H14N2O2S — CID 174620531

IUPAC2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(-c2sc(N)nc2CC(=O)O)cc1C
InChIInChI=1S/C13H14N2O2S/c1-7-3-4-9(5-8(7)2)12-10(6-11(16)17)15-13(14)18-12/h3-5H,6H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyYUOXIKYJMATZDU-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.64
Rot. Bonds3

About 2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid

2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 174620531) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID174620531
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(-c2sc(N)nc2CC(=O)O)cc1C
InChIInChI=1S/C13H14N2O2S/c1-7-3-4-9(5-8(7)2)12-10(6-11(16)17)15-13(14)18-12/h3-5H,6H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyYUOXIKYJMATZDU-UHFFFAOYSA-N
XLogP2.64
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid (CID 174620531) is 2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid is Cc1ccc(-c2sc(N)nc2CC(=O)O)cc1C.
What is the InChIKey of 2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YUOXIKYJMATZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-7-3-4-9(5-8(7)2)12-10(6-11(16)17)15-13(14)18-12/h3-5H,6H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 262.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 174620531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).