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

C17H15NO3S — CID 137047347

IUPAC4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one
SMILESCC(C)n1c(O)c(C=C2C(=O)C=Cc3ccccc32)sc1=O
InChIInChI=1S/C17H15NO3S/c1-10(2)18-16(20)15(22-17(18)21)9-13-12-6-4-3-5-11(12)7-8-14(13)19/h3-10,20H,1-2H3
InChIKeyBAAXUANZCYAJJV-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.33
Rot. Bonds2

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

4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one (PubChem CID 137047347) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one
PubChem CID137047347
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one
SMILESCC(C)n1c(O)c(C=C2C(=O)C=Cc3ccccc32)sc1=O
InChIInChI=1S/C17H15NO3S/c1-10(2)18-16(20)15(22-17(18)21)9-13-12-6-4-3-5-11(12)7-8-14(13)19/h3-10,20H,1-2H3
InChIKeyBAAXUANZCYAJJV-UHFFFAOYSA-N
XLogP3.33
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one
CID 135968452
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 3096049
(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135996792
4-hydroxy-5-(naphthalen-1-yliminomethyl)-3-propan-2-yl-1,3-thiazol-2-one
CID 135941255
ethyl 3-[[4-hydroxy-3-methyl-5-[(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-ylidene]amino]benzoate
CID 5222922
1-[[4-hydroxy-2-(3-methylanilino)-1,3-thiazol-5-yl]methylidene]naphthalen-2-one
CID 1251052
(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
CID 59427156
1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one
CID 173281078
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
(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]-3-propan-2-yl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one (CID 137047347) is 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one is CC(C)n1c(O)c(C=C2C(=O)C=Cc3ccccc32)sc1=O.
What is the InChIKey of 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one?
The InChIKey is BAAXUANZCYAJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-10(2)18-16(20)15(22-17(18)21)9-13-12-6-4-3-5-11(12)7-8-14(13)19/h3-10,20H,1-2H3.
What are the key properties of 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one?
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one has a molecular weight of 313.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one is sourced from PubChem (CID 137047347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).