3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol

C15H13NOS — CID 136750938

IUPAC3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
SMILESCc1ccc2sc(-c3ccc(O)cc3C)nc2c1
InChIInChI=1S/C15H13NOS/c1-9-3-6-14-13(7-9)16-15(18-14)12-5-4-11(17)8-10(12)2/h3-8,17H,1-2H3
InChIKeyBXVPHKJUKMGPMR-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.29
Rot. Bonds1

About 3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol

3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol (PubChem CID 136750938) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
PubChem CID136750938
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
SMILESCc1ccc2sc(-c3ccc(O)cc3C)nc2c1
InChIInChI=1S/C15H13NOS/c1-9-3-6-14-13(7-9)16-15(18-14)12-5-4-11(17)8-10(12)2/h3-8,17H,1-2H3
InChIKeyBXVPHKJUKMGPMR-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol
CID 136750939
3-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 43306267
5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 43305050
2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915
2-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 79530408
3,4-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 63021388
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013
4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
CID 43305023
2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine
CID 155931684
(5-methyl-1,3-benzothiazol-2-yl)sulfanium
CID 23515219

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol (CID 136750938) is 3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol is Cc1ccc2sc(-c3ccc(O)cc3C)nc2c1.
What is the InChIKey of 3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol?
The InChIKey is BXVPHKJUKMGPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-9-3-6-14-13(7-9)16-15(18-14)12-5-4-11(17)8-10(12)2/h3-8,17H,1-2H3.
What are the key properties of 3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol?
3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol has a molecular weight of 255.34 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 136750938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).