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

C17H13NO2S — CID 2386621

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl benzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C17H13NO2S/c19-17(14-9-5-2-6-10-14)20-11-15-12-21-16(18-15)13-7-3-1-4-8-13/h1-10,12H,11H2
InChIKeyDRQNECIODIELAJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.17
Rot. Bonds4

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

(2-phenyl-1,3-thiazol-4-yl)methyl benzoate (PubChem CID 2386621) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl benzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl benzoate
PubChem CID2386621
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl benzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C17H13NO2S/c19-17(14-9-5-2-6-10-14)20-11-15-12-21-16(18-15)13-7-3-1-4-8-13/h1-10,12H,11H2
InChIKeyDRQNECIODIELAJ-UHFFFAOYSA-N
XLogP4.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl benzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl benzoate (CID 2386621) is (2-phenyl-1,3-thiazol-4-yl)methyl benzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl benzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl benzoate is O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl benzoate?
The InChIKey is DRQNECIODIELAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-17(14-9-5-2-6-10-14)20-11-15-12-21-16(18-15)13-7-3-1-4-8-13/h1-10,12H,11H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl benzoate?
(2-phenyl-1,3-thiazol-4-yl)methyl benzoate has a molecular weight of 295.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl benzoate is sourced from PubChem (CID 2386621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).