tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane

C16H26N2SSi — CID 66683082

IUPACtri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cccc1-c1nccs1
InChIInChI=1S/C16H26N2SSi/c1-12(2)20(13(3)4,14(5)6)18-10-7-8-15(18)16-17-9-11-19-16/h7-14H,1-6H3
InChIKeyWHSUAETWWHNQQM-UHFFFAOYSA-N
MW306.55 g/mol
LogP5.64
Rot. Bonds5

About tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane

tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane (PubChem CID 66683082) has the molecular formula C16H26N2SSi and a molecular weight of 306.55 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane
PubChem CID66683082
Molecular FormulaC16H26N2SSi
Molecular Weight306.55 g/mol
Exact Mass306.16
IUPAC Nametri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cccc1-c1nccs1
InChIInChI=1S/C16H26N2SSi/c1-12(2)20(13(3)4,14(5)6)18-10-7-8-15(18)16-17-9-11-19-16/h7-14H,1-6H3
InChIKeyWHSUAETWWHNQQM-UHFFFAOYSA-N
XLogP5.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.55
LogP ≤ 55.64
H-Bond Donors ≤ 50
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 tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane?
The IUPAC name of tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane (CID 66683082) is tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane is CC(C)[Si](C(C)C)(C(C)C)n1cccc1-c1nccs1.
What is the InChIKey of tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane?
The InChIKey is WHSUAETWWHNQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2SSi/c1-12(2)20(13(3)4,14(5)6)18-10-7-8-15(18)16-17-9-11-19-16/h7-14H,1-6H3.
What are the key properties of tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane?
tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane has a molecular weight of 306.55 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane is sourced from PubChem (CID 66683082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).