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

C17H13NO3S — CID 2393742

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccccc1O
InChIInChI=1S/C17H13NO3S/c19-15-9-5-4-8-14(15)17(20)21-10-13-11-22-16(18-13)12-6-2-1-3-7-12/h1-9,11,19H,10H2
InChIKeyAZWZWJWKZKCJKA-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.87
Rot. Bonds4

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

(2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate (PubChem CID 2393742) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate
PubChem CID2393742
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccccc1O
InChIInChI=1S/C17H13NO3S/c19-15-9-5-4-8-14(15)17(20)21-10-13-11-22-16(18-13)12-6-2-1-3-7-12/h1-9,11,19H,10H2
InChIKeyAZWZWJWKZKCJKA-UHFFFAOYSA-N
XLogP3.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate (CID 2393742) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate is O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1O.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate?
The InChIKey is AZWZWJWKZKCJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-15-9-5-4-8-14(15)17(20)21-10-13-11-22-16(18-13)12-6-2-1-3-7-12/h1-9,11,19H,10H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate has a molecular weight of 311.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate is sourced from PubChem (CID 2393742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).