CID 160526490

C18H21N2O2SSi- — CID 160526490

IUPAC—
SMILESC.C[Si](C)(C)C#Cc1cncc(C(=O)N=[S-](=O)c2ccccc2)c1
InChIInChI=1S/C17H17N2O2SSi.CH4/c1-23(2,3)10-9-14-11-15(13-18-12-14)17(20)19-22(21)16-7-5-4-6-8-16;/h4-8,11-13H,1-3H3;1H4/q-1;
InChIKeyMAPCUVCLYDGSRD-UHFFFAOYSA-N
MW357.53 g/mol
LogP4.29
Rot. Bonds2

About CID 160526490

CID 160526490 (PubChem CID 160526490) has the molecular formula C18H21N2O2SSi- and a molecular weight of 357.53 g/mol.

Molecular Properties

Compound NameCID 160526490
PubChem CID160526490
Molecular FormulaC18H21N2O2SSi-
Molecular Weight357.53 g/mol
Exact Mass357.11
IUPAC Name—
SMILESC.C[Si](C)(C)C#Cc1cncc(C(=O)N=[S-](=O)c2ccccc2)c1
InChIInChI=1S/C17H17N2O2SSi.CH4/c1-23(2,3)10-9-14-11-15(13-18-12-14)17(20)19-22(21)16-7-5-4-6-8-16;/h4-8,11-13H,1-3H3;1H4/q-1;
InChIKeyMAPCUVCLYDGSRD-UHFFFAOYSA-N
XLogP4.29
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 90695233
CID 90695233
CID 91169289
CID 91169289
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide
CID 24953135
1-[5-(2-trimethylsilylethynyl)-3-pyridinyl]ethanone
CID 172994129
CID 89162625
CID 89162625
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 24952432
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 15849413
N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 87248784
CID 89050716
CID 89050716
N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 87248568
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyridine-3-carboxamide
CID 87165146
N-[(3,4-dimethylphenyl)-methyl-oxo-λ6-sulfanylidene]-5-[2-(2-methylphenyl)ethynyl]pyridine-3-carboxamide
CID 87165258

Frequently Asked Questions

What is the IUPAC name of CID 160526490?
The IUPAC name of CID 160526490 (CID 160526490) is not available.
What is the SMILES notation for CID 160526490?
The canonical SMILES for CID 160526490 is C.C[Si](C)(C)C#Cc1cncc(C(=O)N=[S-](=O)c2ccccc2)c1.
What is the InChIKey of CID 160526490?
The InChIKey is MAPCUVCLYDGSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N2O2SSi.CH4/c1-23(2,3)10-9-14-11-15(13-18-12-14)17(20)19-22(21)16-7-5-4-6-8-16;/h4-8,11-13H,1-3H3;1H4/q-1;.
What are the key properties of CID 160526490?
CID 160526490 has a molecular weight of 357.53 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160526490 is sourced from PubChem (CID 160526490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).