4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one

C9H8N2O2S2 — CID 54295053

IUPAC4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one
SMILESCc1cccc(Sc2sc(=O)[nH]c2O)n1
InChIInChI=1S/C9H8N2O2S2/c1-5-3-2-4-6(10-5)14-8-7(12)11-9(13)15-8/h2-4,12H,1H3,(H,11,13)
InChIKeySAFFBYWYLYCRGU-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.00
Rot. Bonds2

About 4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one (PubChem CID 54295053) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one
PubChem CID54295053
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Name4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one
SMILESCc1cccc(Sc2sc(=O)[nH]c2O)n1
InChIInChI=1S/C9H8N2O2S2/c1-5-3-2-4-6(10-5)14-8-7(12)11-9(13)15-8/h2-4,12H,1H3,(H,11,13)
InChIKeySAFFBYWYLYCRGU-UHFFFAOYSA-N
XLogP2.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one (CID 54295053) is 4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one is Cc1cccc(Sc2sc(=O)[nH]c2O)n1.
What is the InChIKey of 4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one?
The InChIKey is SAFFBYWYLYCRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c1-5-3-2-4-6(10-5)14-8-7(12)11-9(13)15-8/h2-4,12H,1H3,(H,11,13).
What are the key properties of 4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one has a molecular weight of 240.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54295053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).