4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one

C10H10N2O2S — CID 147584859

IUPAC4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one
SMILESCc1cc(-c2sc(N)nc2C)cc(=O)o1
InChIInChI=1S/C10H10N2O2S/c1-5-3-7(4-8(13)14-5)9-6(2)12-10(11)15-9/h3-4H,1-2H3,(H2,11,12)
InChIKeyFXDHZVTXLQPAPZ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.96
Rot. Bonds1

About 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one

4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one (PubChem CID 147584859) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one.

Molecular Properties

Compound Name4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one
PubChem CID147584859
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one
SMILESCc1cc(-c2sc(N)nc2C)cc(=O)o1
InChIInChI=1S/C10H10N2O2S/c1-5-3-7(4-8(13)14-5)9-6(2)12-10(11)15-9/h3-4H,1-2H3,(H2,11,12)
InChIKeyFXDHZVTXLQPAPZ-UHFFFAOYSA-N
XLogP1.96
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one?
The IUPAC name of 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one (CID 147584859) is 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one.
What is the SMILES notation for 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one?
The canonical SMILES for 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one is Cc1cc(-c2sc(N)nc2C)cc(=O)o1.
What is the InChIKey of 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one?
The InChIKey is FXDHZVTXLQPAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-5-3-7(4-8(13)14-5)9-6(2)12-10(11)15-9/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one?
4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one has a molecular weight of 222.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one is sourced from PubChem (CID 147584859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).