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

C9H8N2O3S — CID 54730323

IUPAC3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one
SMILESCc1cc(O)c(-c2csc(N)n2)c(=O)o1
InChIInChI=1S/C9H8N2O3S/c1-4-2-6(12)7(8(13)14-4)5-3-15-9(10)11-5/h2-3,12H,1H3,(H2,10,11)
InChIKeyMZYUUMSXWYEXLE-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.36
Rot. Bonds1

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

3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one (PubChem CID 54730323) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one
PubChem CID54730323
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one
SMILESCc1cc(O)c(-c2csc(N)n2)c(=O)o1
InChIInChI=1S/C9H8N2O3S/c1-4-2-6(12)7(8(13)14-4)5-3-15-9(10)11-5/h2-3,12H,1H3,(H2,10,11)
InChIKeyMZYUUMSXWYEXLE-UHFFFAOYSA-N
XLogP1.36
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one (CID 54730323) is 3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one is Cc1cc(O)c(-c2csc(N)n2)c(=O)o1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one?
The InChIKey is MZYUUMSXWYEXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-4-2-6(12)7(8(13)14-4)5-3-15-9(10)11-5/h2-3,12H,1H3,(H2,10,11).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one?
3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one has a molecular weight of 224.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one is sourced from PubChem (CID 54730323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).