2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid

C12H12N2O3S — CID 168719747

IUPAC2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(Cc2sc(N)nc2C(=O)O)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-8-4-2-7(3-5-8)6-9-10(11(15)16)14-12(13)18-9/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyMZAIVCKQPLCXJF-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.02
Rot. Bonds4

About 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid

2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 168719747) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID168719747
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(Cc2sc(N)nc2C(=O)O)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-8-4-2-7(3-5-8)6-9-10(11(15)16)14-12(13)18-9/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyMZAIVCKQPLCXJF-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid (CID 168719747) is 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid is COc1ccc(Cc2sc(N)nc2C(=O)O)cc1.
What is the InChIKey of 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is MZAIVCKQPLCXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-8-4-2-7(3-5-8)6-9-10(11(15)16)14-12(13)18-9/h2-5H,6H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 168719747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).