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

C9H9N3O3S — CID 54730324

IUPAC3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one
SMILESCc1cc(O)c(-c2csc(NN)n2)c(=O)o1
InChIInChI=1S/C9H9N3O3S/c1-4-2-6(13)7(8(14)15-4)5-3-16-9(11-5)12-10/h2-3,13H,10H2,1H3,(H,11,12)
InChIKeyQAHVKOCRVROWGA-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.06
Rot. Bonds2

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

3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one (PubChem CID 54730324) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one.

Molecular Properties

Compound Name3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one
PubChem CID54730324
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one
SMILESCc1cc(O)c(-c2csc(NN)n2)c(=O)o1
InChIInChI=1S/C9H9N3O3S/c1-4-2-6(13)7(8(14)15-4)5-3-16-9(11-5)12-10/h2-3,13H,10H2,1H3,(H,11,12)
InChIKeyQAHVKOCRVROWGA-UHFFFAOYSA-N
XLogP1.06
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one?
The IUPAC name of 3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one (CID 54730324) is 3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one.
What is the SMILES notation for 3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one?
The canonical SMILES for 3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one is Cc1cc(O)c(-c2csc(NN)n2)c(=O)o1.
What is the InChIKey of 3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one?
The InChIKey is QAHVKOCRVROWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-4-2-6(13)7(8(14)15-4)5-3-16-9(11-5)12-10/h2-3,13H,10H2,1H3,(H,11,12).
What are the key properties of 3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one?
3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one has a molecular weight of 239.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one is sourced from PubChem (CID 54730324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).