(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate

C21H15NO4S — CID 2482716

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C21H15NO4S/c23-18-10-17(19(24)16-9-5-4-8-15(16)18)21(25)26-11-14-12-27-20(22-14)13-6-2-1-3-7-13/h1-10,12,23-24H,11H2
InChIKeyVEKDMHTYTVBHPI-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.73
Rot. Bonds4

About (2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate

(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate (PubChem CID 2482716) has the molecular formula C21H15NO4S and a molecular weight of 377.42 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
PubChem CID2482716
Molecular FormulaC21H15NO4S
Molecular Weight377.42 g/mol
Exact Mass377.07
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C21H15NO4S/c23-18-10-17(19(24)16-9-5-4-8-15(16)18)21(25)26-11-14-12-27-20(22-14)13-6-2-1-3-7-13/h1-10,12,23-24H,11H2
InChIKeyVEKDMHTYTVBHPI-UHFFFAOYSA-N
XLogP4.73
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl anthracene-9-carboxylate
CID 7786495
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3907572
(2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2387635
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55327358
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7467913
(2-phenyl-1,3-thiazol-4-yl)methyl 3,4-difluorobenzoate
CID 30305825
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 66632863
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860078
(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 23851285
1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 154771054

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate (CID 2482716) is (2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate is O=C(OCc1csc(-c2ccccc2)n1)c1cc(O)c2ccccc2c1O.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate?
The InChIKey is VEKDMHTYTVBHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4S/c23-18-10-17(19(24)16-9-5-4-8-15(16)18)21(25)26-11-14-12-27-20(22-14)13-6-2-1-3-7-13/h1-10,12,23-24H,11H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2482716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).