5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C10H15NOS — CID 129297099

IUPAC5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCC1CCc2sc(C)nc2C1O
InChIInChI=1S/C10H15NOS/c1-3-7-4-5-8-9(10(7)12)11-6(2)13-8/h7,10,12H,3-5H2,1-2H3
InChIKeyJPPJMXBFHKPOLY-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.46
Rot. Bonds1

About 5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 129297099) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID129297099
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCC1CCc2sc(C)nc2C1O
InChIInChI=1S/C10H15NOS/c1-3-7-4-5-8-9(10(7)12)11-6(2)13-8/h7,10,12H,3-5H2,1-2H3
InChIKeyJPPJMXBFHKPOLY-UHFFFAOYSA-N
XLogP2.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 129297099) is 5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CCC1CCc2sc(C)nc2C1O.
What is the InChIKey of 5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is JPPJMXBFHKPOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-3-7-4-5-8-9(10(7)12)11-6(2)13-8/h7,10,12H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 197.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 129297099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).