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

C15H13NOS — CID 155918906

IUPAC2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
SMILESCc1nc2cc(-c3ccc(O)c(C)c3)ccc2s1
InChIInChI=1S/C15H13NOS/c1-9-7-11(3-5-14(9)17)12-4-6-15-13(8-12)16-10(2)18-15/h3-8,17H,1-2H3
InChIKeyKEDURLOXNCXFPE-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.29
Rot. Bonds1

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

2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol (PubChem CID 155918906) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
PubChem CID155918906
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
SMILESCc1nc2cc(-c3ccc(O)c(C)c3)ccc2s1
InChIInChI=1S/C15H13NOS/c1-9-7-11(3-5-14(9)17)12-4-6-15-13(8-12)16-10(2)18-15/h3-8,17H,1-2H3
InChIKeyKEDURLOXNCXFPE-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-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
2,6-dimethyl-1,3-benzothiazol-5-ol
CID 126677405
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
CID 155495690
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 155495503
2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole
CID 155914940
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
2-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-4,6-diamine
CID 21101301
6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
CID 155910091
5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole
CID 155911185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol?
The IUPAC name of 2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol (CID 155918906) is 2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol.
What is the SMILES notation for 2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol?
The canonical SMILES for 2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol is Cc1nc2cc(-c3ccc(O)c(C)c3)ccc2s1.
What is the InChIKey of 2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol?
The InChIKey is KEDURLOXNCXFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-9-7-11(3-5-14(9)17)12-4-6-15-13(8-12)16-10(2)18-15/h3-8,17H,1-2H3.
What are the key properties of 2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol?
2-methyl-4-(2-methyl-1,3-benzothiazol-5-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 2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol is sourced from PubChem (CID 155918906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).