1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol

C16H15NOS — CID 155495690

IUPAC1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
SMILESCc1nc2cc(-c3ccc(C(C)O)cc3)ccc2s1
InChIInChI=1S/C16H15NOS/c1-10(18)12-3-5-13(6-4-12)14-7-8-16-15(9-14)17-11(2)19-16/h3-10,18H,1-2H3
InChIKeyWQWMFMBUXCAKOS-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.33
Rot. Bonds2

About 1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol

1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol (PubChem CID 155495690) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
PubChem CID155495690
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
SMILESCc1nc2cc(-c3ccc(C(C)O)cc3)ccc2s1
InChIInChI=1S/C16H15NOS/c1-10(18)12-3-5-13(6-4-12)14-7-8-16-15(9-14)17-11(2)19-16/h3-10,18H,1-2H3
InChIKeyWQWMFMBUXCAKOS-UHFFFAOYSA-N
XLogP4.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.33
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-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 155495503
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
(3S)-3-hydroxy-3-(2-methyl-1,3-benzothiazol-5-yl)propanal
CID 89119132
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
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
2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole
CID 155914940
2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine
CID 155912615
1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane
CID 158901382

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol?
The IUPAC name of 1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol (CID 155495690) is 1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol?
The canonical SMILES for 1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol is Cc1nc2cc(-c3ccc(C(C)O)cc3)ccc2s1.
What is the InChIKey of 1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol?
The InChIKey is WQWMFMBUXCAKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-10(18)12-3-5-13(6-4-12)14-7-8-16-15(9-14)17-11(2)19-16/h3-10,18H,1-2H3.
What are the key properties of 1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol?
1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol has a molecular weight of 269.37 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol is sourced from PubChem (CID 155495690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).