4-(1,3-benzothiazol-2-yl)-2-methoxyphenol

C14H11NO2S — CID 3155228

IUPAC4-(1,3-benzothiazol-2-yl)-2-methoxyphenol
SMILESCOc1cc(-c2nc3ccccc3s2)ccc1O
InChIInChI=1S/C14H11NO2S/c1-17-12-8-9(6-7-11(12)16)14-15-10-4-2-3-5-13(10)18-14/h2-8,16H,1H3
InChIKeyKRVBOHJNAFQFPW-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.68
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol

4-(1,3-benzothiazol-2-yl)-2-methoxyphenol (PubChem CID 3155228) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-2-methoxyphenol
PubChem CID3155228
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name4-(1,3-benzothiazol-2-yl)-2-methoxyphenol
SMILESCOc1cc(-c2nc3ccccc3s2)ccc1O
InChIInChI=1S/C14H11NO2S/c1-17-12-8-9(6-7-11(12)16)14-15-10-4-2-3-5-13(10)18-14/h2-8,16H,1H3
InChIKeyKRVBOHJNAFQFPW-UHFFFAOYSA-N
XLogP3.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol (CID 3155228) is 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol is COc1cc(-c2nc3ccccc3s2)ccc1O.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol?
The InChIKey is KRVBOHJNAFQFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-12-8-9(6-7-11(12)16)14-15-10-4-2-3-5-13(10)18-14/h2-8,16H,1H3.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol?
4-(1,3-benzothiazol-2-yl)-2-methoxyphenol has a molecular weight of 257.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol is sourced from PubChem (CID 3155228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).