2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one

C11H12N2O2S — CID 2841514

IUPAC2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one
SMILESCOc1ccc(CC2SC(N)=NC2=O)cc1
InChIInChI=1S/C11H12N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(12)16-9/h2-5,9H,6H2,1H3,(H2,12,13,14)
InChIKeyDYULVWDIPYTGTJ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.19
Rot. Bonds3

About 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one

2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one (PubChem CID 2841514) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one
PubChem CID2841514
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one
SMILESCOc1ccc(CC2SC(N)=NC2=O)cc1
InChIInChI=1S/C11H12N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(12)16-9/h2-5,9H,6H2,1H3,(H2,12,13,14)
InChIKeyDYULVWDIPYTGTJ-UHFFFAOYSA-N
XLogP1.19
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one (CID 2841514) is 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one is COc1ccc(CC2SC(N)=NC2=O)cc1.
What is the InChIKey of 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is DYULVWDIPYTGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(12)16-9/h2-5,9H,6H2,1H3,(H2,12,13,14).
What are the key properties of 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one?
2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 2841514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).