4-(1-methoxy-1,3-benzothiazol-1-yl)phenol

C14H13NO2S — CID 139625247

IUPAC4-(1-methoxy-1,3-benzothiazol-1-yl)phenol
SMILESCOS1(c2ccc(O)cc2)C=Nc2ccccc21
InChIInChI=1S/C14H13NO2S/c1-17-18(12-8-6-11(16)7-9-12)10-15-13-4-2-3-5-14(13)18/h2-10,16H,1H3
InChIKeyRCQCNOOOJAZKQP-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.85
Rot. Bonds2

About 4-(1-methoxy-1,3-benzothiazol-1-yl)phenol

4-(1-methoxy-1,3-benzothiazol-1-yl)phenol (PubChem CID 139625247) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(1-methoxy-1,3-benzothiazol-1-yl)phenol.

Molecular Properties

Compound Name4-(1-methoxy-1,3-benzothiazol-1-yl)phenol
PubChem CID139625247
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name4-(1-methoxy-1,3-benzothiazol-1-yl)phenol
SMILESCOS1(c2ccc(O)cc2)C=Nc2ccccc21
InChIInChI=1S/C14H13NO2S/c1-17-18(12-8-6-11(16)7-9-12)10-15-13-4-2-3-5-14(13)18/h2-10,16H,1H3
InChIKeyRCQCNOOOJAZKQP-UHFFFAOYSA-N
XLogP3.85
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxy-1,3-benzothiazol-1-yl)phenol?
The IUPAC name of 4-(1-methoxy-1,3-benzothiazol-1-yl)phenol (CID 139625247) is 4-(1-methoxy-1,3-benzothiazol-1-yl)phenol.
What is the SMILES notation for 4-(1-methoxy-1,3-benzothiazol-1-yl)phenol?
The canonical SMILES for 4-(1-methoxy-1,3-benzothiazol-1-yl)phenol is COS1(c2ccc(O)cc2)C=Nc2ccccc21.
What is the InChIKey of 4-(1-methoxy-1,3-benzothiazol-1-yl)phenol?
The InChIKey is RCQCNOOOJAZKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-17-18(12-8-6-11(16)7-9-12)10-15-13-4-2-3-5-14(13)18/h2-10,16H,1H3.
What are the key properties of 4-(1-methoxy-1,3-benzothiazol-1-yl)phenol?
4-(1-methoxy-1,3-benzothiazol-1-yl)phenol has a molecular weight of 259.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxy-1,3-benzothiazol-1-yl)phenol is sourced from PubChem (CID 139625247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).