2-(1,3-benzothiazol-2-ylmethyl)phenol

C14H11NOS — CID 5272163

IUPAC2-(1,3-benzothiazol-2-ylmethyl)phenol
SMILESOc1ccccc1Cc1nc2ccccc2s1
InChIInChI=1S/C14H11NOS/c16-12-7-3-1-5-10(12)9-14-15-11-6-2-4-8-13(11)17-14/h1-8,16H,9H2
InChIKeyRBSLHDVFLWNYKI-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.59
Rot. Bonds2

About 2-(1,3-benzothiazol-2-ylmethyl)phenol

2-(1,3-benzothiazol-2-ylmethyl)phenol (PubChem CID 5272163) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethyl)phenol
PubChem CID5272163
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name2-(1,3-benzothiazol-2-ylmethyl)phenol
SMILESOc1ccccc1Cc1nc2ccccc2s1
InChIInChI=1S/C14H11NOS/c16-12-7-3-1-5-10(12)9-14-15-11-6-2-4-8-13(11)17-14/h1-8,16H,9H2
InChIKeyRBSLHDVFLWNYKI-UHFFFAOYSA-N
XLogP3.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)phenol?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)phenol (CID 5272163) is 2-(1,3-benzothiazol-2-ylmethyl)phenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethyl)phenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethyl)phenol is Oc1ccccc1Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethyl)phenol?
The InChIKey is RBSLHDVFLWNYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-12-7-3-1-5-10(12)9-14-15-11-6-2-4-8-13(11)17-14/h1-8,16H,9H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethyl)phenol?
2-(1,3-benzothiazol-2-ylmethyl)phenol has a molecular weight of 241.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethyl)phenol is sourced from PubChem (CID 5272163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).