CID 145153614

C20H18ClN2OS2Si — CID 145153614

IUPAC—
SMILESN#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SC[Si](O)CCCCl
InChIInChI=1S/C20H18ClN2OS2Si/c21-9-5-11-27(24)14-26-20-17(13-22)16(15-6-2-1-3-7-15)12-18(23-20)19-8-4-10-25-19/h1-4,6-8,10,12,24H,5,9,11,14H2
InChIKeyIPHKVWCPSFUIAM-UHFFFAOYSA-N
MW430.05 g/mol
LogP5.59
Rot. Bonds8

About CID 145153614

CID 145153614 (PubChem CID 145153614) has the molecular formula C20H18ClN2OS2Si and a molecular weight of 430.05 g/mol.

Molecular Properties

Compound NameCID 145153614
PubChem CID145153614
Molecular FormulaC20H18ClN2OS2Si
Molecular Weight430.05 g/mol
Exact Mass429.03
IUPAC Name—
SMILESN#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SC[Si](O)CCCCl
InChIInChI=1S/C20H18ClN2OS2Si/c21-9-5-11-27(24)14-26-20-17(13-22)16(15-6-2-1-3-7-15)12-18(23-20)19-8-4-10-25-19/h1-4,6-8,10,12,24H,5,9,11,14H2
InChIKeyIPHKVWCPSFUIAM-UHFFFAOYSA-N
XLogP5.59
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.05
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 145153614 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

2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
2-benzylsulfanyl-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 4022523
2-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3355899
2-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 1253037
2-[(4-chlorophenyl)methylsulfinylmethylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3336349
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
CID 5120722
2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 681158
methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 1035693
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 6984680
2-[2-(4-tert-butylphenyl)sulfinylethylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3336358
4-(4-tert-butylphenyl)-6-thiophen-2-yl-2-(thiophen-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 3820214
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739

Frequently Asked Questions

What is the IUPAC name of CID 145153614?
The IUPAC name of CID 145153614 (CID 145153614) is not available.
What is the SMILES notation for CID 145153614?
The canonical SMILES for CID 145153614 is N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SC[Si](O)CCCCl.
What is the InChIKey of CID 145153614?
The InChIKey is IPHKVWCPSFUIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN2OS2Si/c21-9-5-11-27(24)14-26-20-17(13-22)16(15-6-2-1-3-7-15)12-18(23-20)19-8-4-10-25-19/h1-4,6-8,10,12,24H,5,9,11,14H2.
What are the key properties of CID 145153614?
CID 145153614 has a molecular weight of 430.05 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145153614 is sourced from PubChem (CID 145153614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).