CID 136803920

C14H15N4S2Si — CID 136803920

IUPAC—
SMILESCn1ccn([Si](c2ccccc2)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C14H15N4S2Si/c1-15-8-10-17(13(15)19)21(12-6-4-3-5-7-12)18-11-9-16(2)14(18)20/h3-11H,1-2H3
InChIKeyQXTFLBFMRLYPPG-UHFFFAOYSA-N
MW331.52 g/mol
LogP2.22
Rot. Bonds3

About CID 136803920

CID 136803920 (PubChem CID 136803920) has the molecular formula C14H15N4S2Si and a molecular weight of 331.52 g/mol.

Molecular Properties

Compound NameCID 136803920
PubChem CID136803920
Molecular FormulaC14H15N4S2Si
Molecular Weight331.52 g/mol
Exact Mass331.05
IUPAC Name—
SMILESCn1ccn([Si](c2ccccc2)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C14H15N4S2Si/c1-15-8-10-17(13(15)19)21(12-6-4-3-5-7-12)18-11-9-16(2)14(18)20/h3-11H,1-2H3
InChIKeyQXTFLBFMRLYPPG-UHFFFAOYSA-N
XLogP2.22
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.52
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136803920?
The IUPAC name of CID 136803920 (CID 136803920) is not available.
What is the SMILES notation for CID 136803920?
The canonical SMILES for CID 136803920 is Cn1ccn([Si](c2ccccc2)n2ccn(C)c2=S)c1=S.
What is the InChIKey of CID 136803920?
The InChIKey is QXTFLBFMRLYPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N4S2Si/c1-15-8-10-17(13(15)19)21(12-6-4-3-5-7-12)18-11-9-16(2)14(18)20/h3-11H,1-2H3.
What are the key properties of CID 136803920?
CID 136803920 has a molecular weight of 331.52 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136803920 is sourced from PubChem (CID 136803920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).