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

C14H9NO3S — CID 3096049

IUPAC4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=C1C=Cc2ccccc2C1=Cc1sc(=O)[nH]c1O
InChIInChI=1S/C14H9NO3S/c16-11-6-5-8-3-1-2-4-9(8)10(11)7-12-13(17)15-14(18)19-12/h1-7,17H,(H,15,18)
InChIKeyVDYGZCRGUKPJKU-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.28
Rot. Bonds1

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

4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one (PubChem CID 3096049) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
PubChem CID3096049
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=C1C=Cc2ccccc2C1=Cc1sc(=O)[nH]c1O
InChIInChI=1S/C14H9NO3S/c16-11-6-5-8-3-1-2-4-9(8)10(11)7-12-13(17)15-14(18)19-12/h1-7,17H,(H,15,18)
InChIKeyVDYGZCRGUKPJKU-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135996792
4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 136656105
(1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135962756
1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 1228552
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one
CID 137047347
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one
CID 135420896
1-[[4-hydroxy-2-(3-methylanilino)-1,3-thiazol-5-yl]methylidene]naphthalen-2-one
CID 1251052
4-hydroxy-5-[(E)-(6-oxonaphthalen-2-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 135442254
4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 155812082
(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
CID 59427156
4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one
CID 135968452
(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 135481408

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one (CID 3096049) is 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one is O=C1C=Cc2ccccc2C1=Cc1sc(=O)[nH]c1O.
What is the InChIKey of 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VDYGZCRGUKPJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-11-6-5-8-3-1-2-4-9(8)10(11)7-12-13(17)15-14(18)19-12/h1-7,17H,(H,15,18).
What are the key properties of 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 271.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 3096049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).