7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole

C8H11NOS — CID 23038095

IUPAC7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCOC1CCCc2ncsc21
InChIInChI=1S/C8H11NOS/c1-10-7-4-2-3-6-8(7)11-5-9-6/h5,7H,2-4H2,1H3
InChIKeyLVRREYDRUBENPI-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.17
Rot. Bonds1

About 7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole

7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 23038095) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID23038095
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCOC1CCCc2ncsc21
InChIInChI=1S/C8H11NOS/c1-10-7-4-2-3-6-8(7)11-5-9-6/h5,7H,2-4H2,1H3
InChIKeyLVRREYDRUBENPI-UHFFFAOYSA-N
XLogP2.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 23038095) is 7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole is COC1CCCc2ncsc21.
What is the InChIKey of 7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is LVRREYDRUBENPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-10-7-4-2-3-6-8(7)11-5-9-6/h5,7H,2-4H2,1H3.
What are the key properties of 7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole?
7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 169.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 23038095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).