2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one

C7H7N3O2S — CID 104772323

IUPAC2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one
SMILESCc1csc(C2OC(N)=NC2=O)n1
InChIInChI=1S/C7H7N3O2S/c1-3-2-13-6(9-3)4-5(11)10-7(8)12-4/h2,4H,1H3,(H2,8,10,11)
InChIKeyXQRHSBNRDSTTEX-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.36
Rot. Bonds1

About 2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one

2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one (PubChem CID 104772323) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one
PubChem CID104772323
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one
SMILESCc1csc(C2OC(N)=NC2=O)n1
InChIInChI=1S/C7H7N3O2S/c1-3-2-13-6(9-3)4-5(11)10-7(8)12-4/h2,4H,1H3,(H2,8,10,11)
InChIKeyXQRHSBNRDSTTEX-UHFFFAOYSA-N
XLogP0.36
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one?
The IUPAC name of 2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one (CID 104772323) is 2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one.
What is the SMILES notation for 2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one?
The canonical SMILES for 2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one is Cc1csc(C2OC(N)=NC2=O)n1.
What is the InChIKey of 2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one?
The InChIKey is XQRHSBNRDSTTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-3-2-13-6(9-3)4-5(11)10-7(8)12-4/h2,4H,1H3,(H2,8,10,11).
What are the key properties of 2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one?
2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one has a molecular weight of 197.22 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazol-4-one is sourced from PubChem (CID 104772323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).