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

C14H11NOS — CID 43306267

IUPAC3-(5-methyl-1,3-benzothiazol-2-yl)phenol
SMILESCc1ccc2sc(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C14H11NOS/c1-9-5-6-13-12(7-9)15-14(17-13)10-3-2-4-11(16)8-10/h2-8,16H,1H3
InChIKeyBANGFHGBNWKRIX-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.98
Rot. Bonds1

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

3-(5-methyl-1,3-benzothiazol-2-yl)phenol (PubChem CID 43306267) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-(5-methyl-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(5-methyl-1,3-benzothiazol-2-yl)phenol
PubChem CID43306267
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name3-(5-methyl-1,3-benzothiazol-2-yl)phenol
SMILESCc1ccc2sc(-c3cccc(O)c3)nc2c1
InChIInChI=1S/C14H11NOS/c1-9-5-6-13-12(7-9)15-14(17-13)10-3-2-4-11(16)8-10/h2-8,16H,1H3
InChIKeyBANGFHGBNWKRIX-UHFFFAOYSA-N
XLogP3.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-1,3-benzothiazol-2-yl)phenol
CID 43087846
3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 136750938
2-bromo-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 107813631
N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 90144970
3-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenol
CID 67238148
3-[(E)-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenol
CID 58342006
[4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine
CID 113277609
3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
CID 28942281
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
2-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)ethanone
CID 148599275
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 3-(5-methyl-1,3-benzothiazol-2-yl)phenol (CID 43306267) is 3-(5-methyl-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 3-(5-methyl-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 3-(5-methyl-1,3-benzothiazol-2-yl)phenol is Cc1ccc2sc(-c3cccc(O)c3)nc2c1.
What is the InChIKey of 3-(5-methyl-1,3-benzothiazol-2-yl)phenol?
The InChIKey is BANGFHGBNWKRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-9-5-6-13-12(7-9)15-14(17-13)10-3-2-4-11(16)8-10/h2-8,16H,1H3.
What are the key properties of 3-(5-methyl-1,3-benzothiazol-2-yl)phenol?
3-(5-methyl-1,3-benzothiazol-2-yl)phenol has a molecular weight of 241.32 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 43306267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).