trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane

C12H15N3SSi — CID 89487345

IUPACtrimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane
SMILESCn1cc(-c2nccs2)nc1C#C[Si](C)(C)C
InChIInChI=1S/C12H15N3SSi/c1-15-9-10(12-13-6-7-16-12)14-11(15)5-8-17(2,3)4/h6-7,9H,1-4H3
InChIKeyDQJLYQVADATVRM-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.77
Rot. Bonds1

About trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane

trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane (PubChem CID 89487345) has the molecular formula C12H15N3SSi and a molecular weight of 261.43 g/mol. Its IUPAC name is trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane
PubChem CID89487345
Molecular FormulaC12H15N3SSi
Molecular Weight261.43 g/mol
Exact Mass261.08
IUPAC Nametrimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane
SMILESCn1cc(-c2nccs2)nc1C#C[Si](C)(C)C
InChIInChI=1S/C12H15N3SSi/c1-15-9-10(12-13-6-7-16-12)14-11(15)5-8-17(2,3)4/h6-7,9H,1-4H3
InChIKeyDQJLYQVADATVRM-UHFFFAOYSA-N
XLogP2.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane (CID 89487345) is trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane is Cn1cc(-c2nccs2)nc1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane?
The InChIKey is DQJLYQVADATVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3SSi/c1-15-9-10(12-13-6-7-16-12)14-11(15)5-8-17(2,3)4/h6-7,9H,1-4H3.
What are the key properties of trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane?
trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane has a molecular weight of 261.43 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[1-methyl-4-(1,3-thiazol-2-yl)imidazol-2-yl]ethynyl]silane is sourced from PubChem (CID 89487345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).