N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline

C14H20N2SSi — CID 139985871

IUPACN-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline
SMILESC[Si](C)(C)C(=CC1=NCCS1)Nc1ccccc1
InChIInChI=1S/C14H20N2SSi/c1-18(2,3)14(11-13-15-9-10-17-13)16-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3
InChIKeyWMQKKLIYFXCAJI-UHFFFAOYSA-N
MW276.48 g/mol
LogP4.01
Rot. Bonds4

About N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline

N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline (PubChem CID 139985871) has the molecular formula C14H20N2SSi and a molecular weight of 276.48 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline
PubChem CID139985871
Molecular FormulaC14H20N2SSi
Molecular Weight276.48 g/mol
Exact Mass276.11
IUPAC NameN-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline
SMILESC[Si](C)(C)C(=CC1=NCCS1)Nc1ccccc1
InChIInChI=1S/C14H20N2SSi/c1-18(2,3)14(11-13-15-9-10-17-13)16-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3
InChIKeyWMQKKLIYFXCAJI-UHFFFAOYSA-N
XLogP4.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline?
The IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline (CID 139985871) is N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline is C[Si](C)(C)C(=CC1=NCCS1)Nc1ccccc1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline?
The InChIKey is WMQKKLIYFXCAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2SSi/c1-18(2,3)14(11-13-15-9-10-17-13)16-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline?
N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline has a molecular weight of 276.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1-trimethylsilylethenyl]aniline is sourced from PubChem (CID 139985871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).