trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane

C14H14N2S2Si — CID 91589851

IUPACtrimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane
SMILESCC#Cc1csc(-c2nc(C#C[Si](C)(C)C)cs2)n1
InChIInChI=1S/C14H14N2S2Si/c1-5-6-11-9-17-13(15-11)14-16-12(10-18-14)7-8-19(2,3)4/h9-10H,1-4H3
InChIKeyMBXJCZVVUKGUKP-UHFFFAOYSA-N
MW302.50 g/mol
LogP3.87
Rot. Bonds1

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

trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane (PubChem CID 91589851) has the molecular formula C14H14N2S2Si and a molecular weight of 302.50 g/mol. Its IUPAC name is trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane
PubChem CID91589851
Molecular FormulaC14H14N2S2Si
Molecular Weight302.50 g/mol
Exact Mass302.04
IUPAC Nametrimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane
SMILESCC#Cc1csc(-c2nc(C#C[Si](C)(C)C)cs2)n1
InChIInChI=1S/C14H14N2S2Si/c1-5-6-11-9-17-13(15-11)14-16-12(10-18-14)7-8-19(2,3)4/h9-10H,1-4H3
InChIKeyMBXJCZVVUKGUKP-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 53.87
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'}

Analyze trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane (CID 91589851) is trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane is CC#Cc1csc(-c2nc(C#C[Si](C)(C)C)cs2)n1.
What is the InChIKey of trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane?
The InChIKey is MBXJCZVVUKGUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2Si/c1-5-6-11-9-17-13(15-11)14-16-12(10-18-14)7-8-19(2,3)4/h9-10H,1-4H3.
What are the key properties of trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane?
trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane has a molecular weight of 302.50 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-(4-prop-1-ynyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]ethynyl]silane is sourced from PubChem (CID 91589851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).