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

C11H17NOS — CID 115066885

IUPAC2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
SMILESCC(C)(C)c1nc2c(s1)CC(O)CC2
InChIInChI=1S/C11H17NOS/c1-11(2,3)10-12-8-5-4-7(13)6-9(8)14-10/h7,13H,4-6H2,1-3H3
InChIKeyBXNGCUDOXGOEQP-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.29
Rot. Bonds

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

2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol (PubChem CID 115066885) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
PubChem CID115066885
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
SMILESCC(C)(C)c1nc2c(s1)CC(O)CC2
InChIInChI=1S/C11H17NOS/c1-11(2,3)10-12-8-5-4-7(13)6-9(8)14-10/h7,13H,4-6H2,1-3H3
InChIKeyBXNGCUDOXGOEQP-UHFFFAOYSA-N
XLogP2.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
The IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol (CID 115066885) is 2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol is CC(C)(C)c1nc2c(s1)CC(O)CC2.
What is the InChIKey of 2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
The InChIKey is BXNGCUDOXGOEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2,3)10-12-8-5-4-7(13)6-9(8)14-10/h7,13H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol has a molecular weight of 211.33 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol is sourced from PubChem (CID 115066885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).