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

C23H19NO4S — CID 135968452

IUPAC4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one
SMILESCc1ccc(OCCn2c(O)c(/C=C3\C(=O)C=Cc4ccccc43)sc2=O)cc1
InChIInChI=1S/C23H19NO4S/c1-15-6-9-17(10-7-15)28-13-12-24-22(26)21(29-23(24)27)14-19-18-5-3-2-4-16(18)8-11-20(19)25/h2-11,14,26H,12-13H2,1H3/b19-14-
InChIKeyBYZPJXQRRXUJOL-RGEXLXHISA-N
MW405.48 g/mol
LogP4.14
Rot. Bonds5

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

4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one (PubChem CID 135968452) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one
PubChem CID135968452
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one
SMILESCc1ccc(OCCn2c(O)c(/C=C3\C(=O)C=Cc4ccccc43)sc2=O)cc1
InChIInChI=1S/C23H19NO4S/c1-15-6-9-17(10-7-15)28-13-12-24-22(26)21(29-23(24)27)14-19-18-5-3-2-4-16(18)8-11-20(19)25/h2-11,14,26H,12-13H2,1H3/b19-14-
InChIKeyBYZPJXQRRXUJOL-RGEXLXHISA-N
XLogP4.14
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one
CID 137047347
1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 1228552
5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one
CID 135968361
4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid
CID 82225342
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
CID 135968366
2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide
CID 1229232
1-[[4-hydroxy-2-(3-methylanilino)-1,3-thiazol-5-yl]methylidene]naphthalen-2-one
CID 1251052
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 2179354
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
2-(4-methylphenoxy)ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 4280363
methyl 1-(4-ethylphenyl)-5-hydroxy-2-methyl-4-[(2-oxonaphthalen-1-ylidene)methyl]pyrrole-3-carboxylate
CID 137021959

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one (CID 135968452) is 4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one is Cc1ccc(OCCn2c(O)c(/C=C3\C(=O)C=Cc4ccccc43)sc2=O)cc1.
What is the InChIKey of 4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one?
The InChIKey is BYZPJXQRRXUJOL-RGEXLXHISA-N. The full InChI is InChI=1S/C23H19NO4S/c1-15-6-9-17(10-7-15)28-13-12-24-22(26)21(29-23(24)27)14-19-18-5-3-2-4-16(18)8-11-20(19)25/h2-11,14,26H,12-13H2,1H3/b19-14-.
What are the key properties of 4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one?
4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one has a molecular weight of 405.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135968452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).