methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate

C15H11NO3S — CID 58138527

IUPACmethyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate
SMILESCOC(=O)c1cccc(-c2nc3ccc(O)cc3s2)c1
InChIInChI=1S/C15H11NO3S/c1-19-15(18)10-4-2-3-9(7-10)14-16-12-6-5-11(17)8-13(12)20-14/h2-8,17H,1H3
InChIKeyJQHPLSRNIRTNGY-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.46
Rot. Bonds2

About methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate

methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate (PubChem CID 58138527) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate
PubChem CID58138527
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Namemethyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate
SMILESCOC(=O)c1cccc(-c2nc3ccc(O)cc3s2)c1
InChIInChI=1S/C15H11NO3S/c1-19-15(18)10-4-2-3-9(7-10)14-16-12-6-5-11(17)8-13(12)20-14/h2-8,17H,1H3
InChIKeyJQHPLSRNIRTNGY-UHFFFAOYSA-N
XLogP3.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate
CID 79036936
methyl 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzoate
CID 80556455
3-(6-chloro-1,3-benzothiazol-2-yl)benzoic acid
CID 79528960
N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 10567607
ethyl 2-(3-bromophenyl)-1,3-benzothiazole-6-carboxylate
CID 95930252
methyl 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]sulfanylmethyl]benzoate
CID 166934660
3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide
CID 39826228
2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol
CID 136716732
2-(3-fluorophenyl)-1,3-benzothiazole-6-carbonyl chloride
CID 95930246
methyl (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-5,5-dimethyl-4H-1,3-thiazole-4-carboxylate
CID 177484309
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate
CID 80556382

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate?
The IUPAC name of methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate (CID 58138527) is methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate.
What is the SMILES notation for methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate?
The canonical SMILES for methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate is COC(=O)c1cccc(-c2nc3ccc(O)cc3s2)c1.
What is the InChIKey of methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate?
The InChIKey is JQHPLSRNIRTNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-19-15(18)10-4-2-3-9(7-10)14-16-12-6-5-11(17)8-13(12)20-14/h2-8,17H,1H3.
What are the key properties of methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate?
methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate has a molecular weight of 285.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate is sourced from PubChem (CID 58138527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).