4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one

C9H8N2O2S — CID 91250285

IUPAC4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2cccnc2)s1
InChIInChI=1S/C9H8N2O2S/c12-8-7(14-9(13)11-8)4-6-2-1-3-10-5-6/h1-3,5,12H,4H2,(H,11,13)
InChIKeyVANYOGFWHTVKIL-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.13
Rot. Bonds2

About 4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one

4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one (PubChem CID 91250285) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one
PubChem CID91250285
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2cccnc2)s1
InChIInChI=1S/C9H8N2O2S/c12-8-7(14-9(13)11-8)4-6-2-1-3-10-5-6/h1-3,5,12H,4H2,(H,11,13)
InChIKeyVANYOGFWHTVKIL-UHFFFAOYSA-N
XLogP1.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one (CID 91250285) is 4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(Cc2cccnc2)s1.
What is the InChIKey of 4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one?
The InChIKey is VANYOGFWHTVKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-8-7(14-9(13)11-8)4-6-2-1-3-10-5-6/h1-3,5,12H,4H2,(H,11,13).
What are the key properties of 4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one?
4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91250285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).