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

C9H13NOS — CID 62090945

IUPAC2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCc1nc2c(s1)C(O)CCC2
InChIInChI=1S/C9H13NOS/c1-2-8-10-6-4-3-5-7(11)9(6)12-8/h7,11H,2-5H2,1H3
InChIKeyLNKIPKMIUUOOLW-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.08
Rot. Bonds1

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

2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62090945) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62090945
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCc1nc2c(s1)C(O)CCC2
InChIInChI=1S/C9H13NOS/c1-2-8-10-6-4-3-5-7(11)9(6)12-8/h7,11H,2-5H2,1H3
InChIKeyLNKIPKMIUUOOLW-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62090945) is 2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CCc1nc2c(s1)C(O)CCC2.
What is the InChIKey of 2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is LNKIPKMIUUOOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-2-8-10-6-4-3-5-7(11)9(6)12-8/h7,11H,2-5H2,1H3.
What are the key properties of 2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 183.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62090945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).