[1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane

C17H26BrNSSi — CID 57153350

IUPAC[1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane
SMILESC[Si](C)(C)CC1(C2SNc3ccc(Br)cc32)CCCCC1
InChIInChI=1S/C17H26BrNSSi/c1-21(2,3)12-17(9-5-4-6-10-17)16-14-11-13(18)7-8-15(14)19-20-16/h7-8,11,16,19H,4-6,9-10,12H2,1-3H3
InChIKeyBRKOPGFELXNUFS-UHFFFAOYSA-N
MW384.46 g/mol
LogP6.85
Rot. Bonds3

About [1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane

[1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane (PubChem CID 57153350) has the molecular formula C17H26BrNSSi and a molecular weight of 384.46 g/mol. Its IUPAC name is [1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane.

Molecular Properties

Compound Name[1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane
PubChem CID57153350
Molecular FormulaC17H26BrNSSi
Molecular Weight384.46 g/mol
Exact Mass383.07
IUPAC Name[1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane
SMILESC[Si](C)(C)CC1(C2SNc3ccc(Br)cc32)CCCCC1
InChIInChI=1S/C17H26BrNSSi/c1-21(2,3)12-17(9-5-4-6-10-17)16-14-11-13(18)7-8-15(14)19-20-16/h7-8,11,16,19H,4-6,9-10,12H2,1-3H3
InChIKeyBRKOPGFELXNUFS-UHFFFAOYSA-N
XLogP6.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
CID 22462483
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CID 95430883
5-bromo-3-pent-3-ynyl-2,3-dihydro-1H-indole
CID 106986488
5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole
CID 106985642
8-bromospiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclobutane]
CID 115099424
5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
CID 43371475
7-bromo-5-fluoro-5-methyl-1,2,3,4-tetrahydro-1-benzazepine
CID 84729417
7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84700609
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
2-[(5-bromo-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107284220
5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
CID 43189941
5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane?
The IUPAC name of [1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane (CID 57153350) is [1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane.
What is the SMILES notation for [1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane?
The canonical SMILES for [1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane is C[Si](C)(C)CC1(C2SNc3ccc(Br)cc32)CCCCC1.
What is the InChIKey of [1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane?
The InChIKey is BRKOPGFELXNUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNSSi/c1-21(2,3)12-17(9-5-4-6-10-17)16-14-11-13(18)7-8-15(14)19-20-16/h7-8,11,16,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of [1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane?
[1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane has a molecular weight of 384.46 g/mol, XLogP of 6.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-1,3-dihydro-2,1-benzothiazol-3-yl)cyclohexyl]methyl-trimethylsilane is sourced from PubChem (CID 57153350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).