1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate

C15H11NO3S — CID 2390727

IUPAC1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate
SMILESO=C(OCc1nc2ccccc2s1)c1ccccc1O
InChIInChI=1S/C15H11NO3S/c17-12-7-3-1-5-10(12)15(18)19-9-14-16-11-6-2-4-8-13(11)20-14/h1-8,17H,9H2
InChIKeyDLKFMXVSUGYENY-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.36
Rot. Bonds3

About 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate

1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate (PubChem CID 2390727) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate.

Molecular Properties

Compound Name1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate
PubChem CID2390727
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate
SMILESO=C(OCc1nc2ccccc2s1)c1ccccc1O
InChIInChI=1S/C15H11NO3S/c17-12-7-3-1-5-10(12)15(18)19-9-14-16-11-6-2-4-8-13(11)20-14/h1-8,17H,9H2
InChIKeyDLKFMXVSUGYENY-UHFFFAOYSA-N
XLogP3.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methyl-1,3-benzothiazol-5-yl)methyl 2-methoxybenzoate
CID 2354514
2-(1,3-Benzothiazol-2-ylmethoxy)benzamide
CID 7642112
Benzoic acid 2-methyl-benzothiazol-6-yl ester
CID 836197
1,3-Benzothiazol-2-ylmethyl 4-aminobenzoate
CID 2128671
2-(benzothiazol-2-ylmethoxy)benzoic Acid
CID 8196429
2-(1,3-Benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 727520
1,3-Benzothiazol-2-ylmethyl 2,5-dimethylfuran-3-carboxylate
CID 2999130
[(Z)-3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-hydroxybenzoate
CID 135433252
(Z)-methyl 4-(2-(benzo[d]thiazol-2(3H)-ylidene)-2-cyanoacetyl)benzoate
CID 135500630
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate
CID 2393742
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 2469037
[2-[1,3-Benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 4790320

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate?
The IUPAC name of 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate (CID 2390727) is 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate.
What is the SMILES notation for 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate?
The canonical SMILES for 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate is O=C(OCc1nc2ccccc2s1)c1ccccc1O.
What is the InChIKey of 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate?
The InChIKey is DLKFMXVSUGYENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-12-7-3-1-5-10(12)15(18)19-9-14-16-11-6-2-4-8-13(11)20-14/h1-8,17H,9H2.
What are the key properties of 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate?
1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate has a molecular weight of 285.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate is sourced from PubChem (CID 2390727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).