(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone

C15H11NO3S — CID 56847605

IUPAC(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc3ccc(O)cc3s2)cc1O
InChIInChI=1S/C15H11NO3S/c1-8-2-3-9(6-12(8)18)14(19)15-16-11-5-4-10(17)7-13(11)20-15/h2-7,17-18H,1H3
InChIKeyPJRMJIREEYPPSW-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.25
Rot. Bonds2

About (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone

(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone (PubChem CID 56847605) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone
PubChem CID56847605
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc3ccc(O)cc3s2)cc1O
InChIInChI=1S/C15H11NO3S/c1-8-2-3-9(6-12(8)18)14(19)15-16-11-5-4-10(17)7-13(11)20-15/h2-7,17-18H,1H3
InChIKeyPJRMJIREEYPPSW-UHFFFAOYSA-N
XLogP3.25
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone?
The IUPAC name of (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone (CID 56847605) is (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone.
What is the SMILES notation for (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone?
The canonical SMILES for (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone is Cc1ccc(C(=O)c2nc3ccc(O)cc3s2)cc1O.
What is the InChIKey of (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone?
The InChIKey is PJRMJIREEYPPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-8-2-3-9(6-12(8)18)14(19)15-16-11-5-4-10(17)7-13(11)20-15/h2-7,17-18H,1H3.
What are the key properties of (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone?
(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone has a molecular weight of 285.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone is sourced from PubChem (CID 56847605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).