2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C15H25NO2S — CID 116728221

IUPAC2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCCCC(OCC)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C15H25NO2S/c1-5-7-12(18-6-2)14-16-10-8-15(3,4)9-11(17)13(10)19-14/h11-12,17H,5-9H2,1-4H3
InChIKeyUVRCZOWSOJNVEQ-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.03
Rot. Bonds5

About 2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 116728221) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID116728221
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCCCC(OCC)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C15H25NO2S/c1-5-7-12(18-6-2)14-16-10-8-15(3,4)9-11(17)13(10)19-14/h11-12,17H,5-9H2,1-4H3
InChIKeyUVRCZOWSOJNVEQ-UHFFFAOYSA-N
XLogP4.03
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 116728221) is 2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CCCC(OCC)c1nc2c(s1)C(O)CC(C)(C)C2.
What is the InChIKey of 2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is UVRCZOWSOJNVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-7-12(18-6-2)14-16-10-8-15(3,4)9-11(17)13(10)19-14/h11-12,17H,5-9H2,1-4H3.
What are the key properties of 2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 283.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 116728221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).