CID 173322757

C15H20NO2SSi — CID 173322757

IUPAC—
SMILESCCOC(OCC)C([Si])C(C)c1nc2ccccc2s1
InChIInChI=1S/C15H20NO2SSi/c1-4-17-15(18-5-2)13(20)10(3)14-16-11-8-6-7-9-12(11)19-14/h6-10,13,15H,4-5H2,1-3H3
InChIKeyRFPARJRPNLRZDY-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.76
Rot. Bonds7

About CID 173322757

CID 173322757 (PubChem CID 173322757) has the molecular formula C15H20NO2SSi and a molecular weight of 306.48 g/mol.

Molecular Properties

Compound NameCID 173322757
PubChem CID173322757
Molecular FormulaC15H20NO2SSi
Molecular Weight306.48 g/mol
Exact Mass306.10
IUPAC Name—
SMILESCCOC(OCC)C([Si])C(C)c1nc2ccccc2s1
InChIInChI=1S/C15H20NO2SSi/c1-4-17-15(18-5-2)13(20)10(3)14-16-11-8-6-7-9-12(11)19-14/h6-10,13,15H,4-5H2,1-3H3
InChIKeyRFPARJRPNLRZDY-UHFFFAOYSA-N
XLogP3.76
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze CID 173322757 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

(2R,3R)-3-(1,3-benzothiazol-2-yl)butan-2-ol
CID 95030552
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
ethyl 2-(1,3-benzothiazol-2-yl)-3-methylbutanoate
CID 79474808
2-[1-[2-(1,3-benzothiazol-2-yl)propyldisulfanyl]propan-2-yl]-1,3-benzothiazole
CID 139653481
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43177919
[3-(1,3-benzothiazol-2-yl)-3-[[1-(1,3-benzothiazol-2-yl)-3-triethoxysilylpropyl]disulfanyl]propyl]-triethoxysilane
CID 57142754
[2-(1,3-benzothiazol-2-yl)-2-[[1-(1,3-benzothiazol-2-yl)-2-tri(butan-2-yloxy)silylethyl]disulfanyl]ethyl]-tri(butan-2-yloxy)silane
CID 57069957
1-(1,3-benzothiazol-2-yl)ethyl methanesulfonate
CID 18932378
methyl 2-(1,3-benzothiazol-2-yl)-2-hydroxyacetate
CID 45077460
dipropan-2-yl 2-(1,3-benzothiazol-2-yl)propanedioate
CID 44721597
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465

Frequently Asked Questions

What is the IUPAC name of CID 173322757?
The IUPAC name of CID 173322757 (CID 173322757) is not available.
What is the SMILES notation for CID 173322757?
The canonical SMILES for CID 173322757 is CCOC(OCC)C([Si])C(C)c1nc2ccccc2s1.
What is the InChIKey of CID 173322757?
The InChIKey is RFPARJRPNLRZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO2SSi/c1-4-17-15(18-5-2)13(20)10(3)14-16-11-8-6-7-9-12(11)19-14/h6-10,13,15H,4-5H2,1-3H3.
What are the key properties of CID 173322757?
CID 173322757 has a molecular weight of 306.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173322757 is sourced from PubChem (CID 173322757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).