7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole

C13H13NO2S — CID 91390912

IUPAC7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole
SMILESCOc1ccc(C2=CCOCC2)c2scnc12
InChIInChI=1S/C13H13NO2S/c1-15-11-3-2-10(9-4-6-16-7-5-9)13-12(11)14-8-17-13/h2-4,8H,5-7H2,1H3
InChIKeyFWZMSSMZQJJLQJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.11
Rot. Bonds2

About 7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole

7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole (PubChem CID 91390912) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole
PubChem CID91390912
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole
SMILESCOc1ccc(C2=CCOCC2)c2scnc12
InChIInChI=1S/C13H13NO2S/c1-15-11-3-2-10(9-4-6-16-7-5-9)13-12(11)14-8-17-13/h2-4,8H,5-7H2,1H3
InChIKeyFWZMSSMZQJJLQJ-UHFFFAOYSA-N
XLogP3.11
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole?
The IUPAC name of 7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole (CID 91390912) is 7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole is COc1ccc(C2=CCOCC2)c2scnc12.
What is the InChIKey of 7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole?
The InChIKey is FWZMSSMZQJJLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-15-11-3-2-10(9-4-6-16-7-5-9)13-12(11)14-8-17-13/h2-4,8H,5-7H2,1H3.
What are the key properties of 7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole?
7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole has a molecular weight of 247.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 91390912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).