4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one

C14H9NO3S — CID 135442254

IUPAC4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=C1C=Cc2c/c(=C/c3sc(=O)[nH]c3O)ccc2=C1
InChIInChI=1S/C14H9NO3S/c16-11-4-3-9-5-8(1-2-10(9)7-11)6-12-13(17)15-14(18)19-12/h1-7,17H,(H,15,18)/b8-6+
InChIKeyWZHIGBDCBMZRSD-SOFGYWHQSA-N
MW271.30 g/mol
LogP0.35
Rot. Bonds1

About 4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one (PubChem CID 135442254) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one
PubChem CID135442254
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=C1C=Cc2c/c(=C/c3sc(=O)[nH]c3O)ccc2=C1
InChIInChI=1S/C14H9NO3S/c16-11-4-3-9-5-8(1-2-10(9)7-11)6-12-13(17)15-14(18)19-12/h1-7,17H,(H,15,18)/b8-6+
InChIKeyWZHIGBDCBMZRSD-SOFGYWHQSA-N
XLogP0.35
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one (CID 135442254) is 4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one is O=C1C=Cc2c/c(=C/c3sc(=O)[nH]c3O)ccc2=C1.
What is the InChIKey of 4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WZHIGBDCBMZRSD-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-11-4-3-9-5-8(1-2-10(9)7-11)6-12-13(17)15-14(18)19-12/h1-7,17H,(H,15,18)/b8-6+.
What are the key properties of 4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 271.30 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 135442254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).