[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol

C15H23NO2SSi — CID 151132328

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1nc2cccc(CO)c2s1
InChIInChI=1S/C15H23NO2SSi/c1-15(2,3)20(4,5)18-10-13-16-12-8-6-7-11(9-17)14(12)19-13/h6-8,17H,9-10H2,1-5H3
InChIKeyMUMHNAMCQZPCKC-UHFFFAOYSA-N
MW309.51 g/mol
LogP4.31
Rot. Bonds4

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol (PubChem CID 151132328) has the molecular formula C15H23NO2SSi and a molecular weight of 309.51 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol
PubChem CID151132328
Molecular FormulaC15H23NO2SSi
Molecular Weight309.51 g/mol
Exact Mass309.12
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1nc2cccc(CO)c2s1
InChIInChI=1S/C15H23NO2SSi/c1-15(2,3)20(4,5)18-10-13-16-12-8-6-7-11(9-17)14(12)19-13/h6-8,17H,9-10H2,1-5H3
InChIKeyMUMHNAMCQZPCKC-UHFFFAOYSA-N
XLogP4.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane
CID 144823426
tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
CID 159353997
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol
CID 70249613
5-[[tert-butyl(dimethyl)silyl]oxymethyl]naphthalen-2-amine
CID 91436936
tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol
CID 157285347
[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 104631328
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
N-tert-butyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-2-amine
CID 140891501
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-3-yl]methoxy]-dimethylsilane
CID 10690703

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol (CID 151132328) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol is CC(C)(C)[Si](C)(C)OCc1nc2cccc(CO)c2s1.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol?
The InChIKey is MUMHNAMCQZPCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2SSi/c1-15(2,3)20(4,5)18-10-13-16-12-8-6-7-11(9-17)14(12)19-13/h6-8,17H,9-10H2,1-5H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol has a molecular weight of 309.51 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol is sourced from PubChem (CID 151132328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).