2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one

C11H12N2O3S — CID 71372820

IUPAC2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one
SMILESCOc1ccc(OC)c(C2SC(N)=NC2=O)c1
InChIInChI=1S/C11H12N2O3S/c1-15-6-3-4-8(16-2)7(5-6)9-10(14)13-11(12)17-9/h3-5,9H,1-2H3,(H2,12,13,14)
InChIKeyFBLZOUKCNYOBPV-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.33
Rot. Bonds3

About 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one

2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one (PubChem CID 71372820) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one
PubChem CID71372820
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one
SMILESCOc1ccc(OC)c(C2SC(N)=NC2=O)c1
InChIInChI=1S/C11H12N2O3S/c1-15-6-3-4-8(16-2)7(5-6)9-10(14)13-11(12)17-9/h3-5,9H,1-2H3,(H2,12,13,14)
InChIKeyFBLZOUKCNYOBPV-UHFFFAOYSA-N
XLogP1.33
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one (CID 71372820) is 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one is COc1ccc(OC)c(C2SC(N)=NC2=O)c1.
What is the InChIKey of 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one?
The InChIKey is FBLZOUKCNYOBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-15-6-3-4-8(16-2)7(5-6)9-10(14)13-11(12)17-9/h3-5,9H,1-2H3,(H2,12,13,14).
What are the key properties of 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one?
2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one has a molecular weight of 252.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 71372820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).