2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C14H15NO2S — CID 62089370

IUPAC2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCOc1ccc(-c2nc3c(s2)C(O)CCC3)cc1
InChIInChI=1S/C14H15NO2S/c1-17-10-7-5-9(6-8-10)14-15-11-3-2-4-12(16)13(11)18-14/h5-8,12,16H,2-4H2,1H3
InChIKeyVQLTXDGOKSOPDG-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.19
Rot. Bonds2

About 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62089370) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62089370
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCOc1ccc(-c2nc3c(s2)C(O)CCC3)cc1
InChIInChI=1S/C14H15NO2S/c1-17-10-7-5-9(6-8-10)14-15-11-3-2-4-12(16)13(11)18-14/h5-8,12,16H,2-4H2,1H3
InChIKeyVQLTXDGOKSOPDG-UHFFFAOYSA-N
XLogP3.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62089370) is 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is COc1ccc(-c2nc3c(s2)C(O)CCC3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is VQLTXDGOKSOPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-10-7-5-9(6-8-10)14-15-11-3-2-4-12(16)13(11)18-14/h5-8,12,16H,2-4H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 261.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62089370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).