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

C9H13NOS — CID 129297021

IUPAC5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCC1CCc2scnc2C1O
InChIInChI=1S/C9H13NOS/c1-2-6-3-4-7-8(9(6)11)10-5-12-7/h5-6,9,11H,2-4H2,1H3
InChIKeyRQVAKQZUXPLYKK-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.15
Rot. Bonds1

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

5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 129297021) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID129297021
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCC1CCc2scnc2C1O
InChIInChI=1S/C9H13NOS/c1-2-6-3-4-7-8(9(6)11)10-5-12-7/h5-6,9,11H,2-4H2,1H3
InChIKeyRQVAKQZUXPLYKK-UHFFFAOYSA-N
XLogP2.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 129297021) is 5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CCC1CCc2scnc2C1O.
What is the InChIKey of 5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is RQVAKQZUXPLYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-2-6-3-4-7-8(9(6)11)10-5-12-7/h5-6,9,11H,2-4H2,1H3.
What are the key properties of 5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 183.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 129297021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).