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

C12H12N2O3S — CID 6494196

IUPAC2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(N)sc2CC(=O)O)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-8-4-2-7(3-5-8)11-9(6-10(15)16)18-12(13)14-11/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyPJZDNACVVHYXQZ-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.03
Rot. Bonds4

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

2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 6494196) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID6494196
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(N)sc2CC(=O)O)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-8-4-2-7(3-5-8)11-9(6-10(15)16)18-12(13)14-11/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyPJZDNACVVHYXQZ-UHFFFAOYSA-N
XLogP2.03
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid (CID 6494196) is 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid is COc1ccc(-c2nc(N)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is PJZDNACVVHYXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-8-4-2-7(3-5-8)11-9(6-10(15)16)18-12(13)14-11/h2-5H,6H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 264.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 6494196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).