4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C7H9NOS — CID 64976616

IUPAC4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2scnc21
InChIInChI=1S/C7H9NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h4-5,9H,1-3H2
InChIKeyCLJAPVMFMBTFHK-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.51
Rot. Bonds

About 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64976616) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64976616
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2scnc21
InChIInChI=1S/C7H9NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h4-5,9H,1-3H2
InChIKeyCLJAPVMFMBTFHK-UHFFFAOYSA-N
XLogP1.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64976616) is 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is OC1CCCc2scnc21.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is CLJAPVMFMBTFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h4-5,9H,1-3H2.
What are the key properties of 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 155.22 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64976616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).