1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol

C15H13NO2S — CID 647548

IUPAC1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H13NO2S/c1-18-11-8-6-10(7-9-11)14(17)15-16-12-4-2-3-5-13(12)19-15/h2-9,14,17H,1H3
InChIKeyIBZWNCTWDYZBNG-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.39
Rot. Bonds3

About 1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol

1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol (PubChem CID 647548) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol
PubChem CID647548
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H13NO2S/c1-18-11-8-6-10(7-9-11)14(17)15-16-12-4-2-3-5-13(12)19-15/h2-9,14,17H,1H3
InChIKeyIBZWNCTWDYZBNG-UHFFFAOYSA-N
XLogP3.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol
CID 66584990
2-[1-(4-methoxyphenyl)tridecyl]-1,3-benzothiazole
CID 176916341
methyl 2-(1,3-benzothiazol-2-yl)-2-hydroxyacetate
CID 45077460
(2R,3R)-3-(1,3-benzothiazol-2-yl)butan-2-ol
CID 95030552
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1,3-benzothiazole
CID 66459132
1-[1,3-benzothiazol-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3894473
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 9469273
(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
CID 79510887
(4-methoxyphenyl)-quinoxalin-2-ylmethanol
CID 107357547
(1R)-N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 28665345

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol?
The IUPAC name of 1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol (CID 647548) is 1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol.
What is the SMILES notation for 1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol?
The canonical SMILES for 1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2nc3ccccc3s2)cc1.
What is the InChIKey of 1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol?
The InChIKey is IBZWNCTWDYZBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-18-11-8-6-10(7-9-11)14(17)15-16-12-4-2-3-5-13(12)19-15/h2-9,14,17H,1H3.
What are the key properties of 1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol?
1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol has a molecular weight of 271.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol is sourced from PubChem (CID 647548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).