2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol

C15H12N2OS — CID 511726

IUPAC2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol
SMILESCc1ccc2snc(/N=C/c3ccccc3O)c2c1
InChIInChI=1S/C15H12N2OS/c1-10-6-7-14-12(8-10)15(17-19-14)16-9-11-4-2-3-5-13(11)18/h2-9,18H,1H3/b16-9+
InChIKeyIMWXYADLXISWGE-CXUHLZMHSA-N
MW268.34 g/mol
LogP4.06
Rot. Bonds2

About 2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol

2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol (PubChem CID 511726) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol
PubChem CID511726
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol
SMILESCc1ccc2snc(/N=C/c3ccccc3O)c2c1
InChIInChI=1S/C15H12N2OS/c1-10-6-7-14-12(8-10)15(17-19-14)16-9-11-4-2-3-5-13(11)18/h2-9,18H,1H3/b16-9+
InChIKeyIMWXYADLXISWGE-CXUHLZMHSA-N
XLogP4.06
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol (CID 511726) is 2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol is Cc1ccc2snc(/N=C/c3ccccc3O)c2c1.
What is the InChIKey of 2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol?
The InChIKey is IMWXYADLXISWGE-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-6-7-14-12(8-10)15(17-19-14)16-9-11-4-2-3-5-13(11)18/h2-9,18H,1H3/b16-9+.
What are the key properties of 2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol?
2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol has a molecular weight of 268.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 511726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).