3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane

C12H19NOSSi — CID 150195289

IUPAC3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane
SMILESC[SiH](C)CCCC1Sc2ccccc2N1O
InChIInChI=1S/C12H19NOSSi/c1-16(2)9-5-8-12-13(14)10-6-3-4-7-11(10)15-12/h3-4,6-7,12,14,16H,5,8-9H2,1-2H3
InChIKeyFOHYXIQWXRQOES-UHFFFAOYSA-N
MW253.44 g/mol
LogP3.58
Rot. Bonds4

About 3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane

3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane (PubChem CID 150195289) has the molecular formula C12H19NOSSi and a molecular weight of 253.44 g/mol. Its IUPAC name is 3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane.

Molecular Properties

Compound Name3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane
PubChem CID150195289
Molecular FormulaC12H19NOSSi
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC Name3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane
SMILESC[SiH](C)CCCC1Sc2ccccc2N1O
InChIInChI=1S/C12H19NOSSi/c1-16(2)9-5-8-12-13(14)10-6-3-4-7-11(10)15-12/h3-4,6-7,12,14,16H,5,8-9H2,1-2H3
InChIKeyFOHYXIQWXRQOES-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methyl-2H-1,3-benzothiazol-2-yl)butan-2-one
CID 14360336
(3-methyl-2H-1,3-benzothiazol-2-yl)methanesulfinic acid
CID 174635092
4-(3-methyl-2H-1,3-benzothiazol-2-yl)but-2-en-2-ol
CID 126516811
3-prop-2-enyl-2-propyl-2H-1,3-benzothiazole
CID 173287101
2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 13375165
3-tert-butyl-2H-1,3-benzothiazole-2-thiol
CID 21260774
2-chloro-4-hydroxy-1,4-benzothiazin-3-one
CID 10059146
(5R)-3-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 90969745
5-(2-methyl-2H-1,3-benzothiazol-3-yl)pentanoic acid
CID 174552873
3-tert-butyl-2-[(3-tert-butyl-2H-1,3-benzothiazol-2-yl)disulfanyl]-2H-1,3-benzothiazole
CID 57133459
2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one
CID 3229393
3-propyl-2H-1,3-benzothiazole-2-thiol
CID 152670089

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane?
The IUPAC name of 3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane (CID 150195289) is 3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane.
What is the SMILES notation for 3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane?
The canonical SMILES for 3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane is C[SiH](C)CCCC1Sc2ccccc2N1O.
What is the InChIKey of 3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane?
The InChIKey is FOHYXIQWXRQOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOSSi/c1-16(2)9-5-8-12-13(14)10-6-3-4-7-11(10)15-12/h3-4,6-7,12,14,16H,5,8-9H2,1-2H3.
What are the key properties of 3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane?
3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane has a molecular weight of 253.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2H-1,3-benzothiazol-2-yl)propyl-dimethylsilane is sourced from PubChem (CID 150195289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).