tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane

C18H34BNO2SSi — CID 46318055

IUPACtri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane
SMILESCC(C)[Si](c1ncc(B2OC(C)(C)C(C)(C)O2)s1)(C(C)C)C(C)C
InChIInChI=1S/C18H34BNO2SSi/c1-12(2)24(13(3)4,14(5)6)16-20-11-15(23-16)19-21-17(7,8)18(9,10)22-19/h11-14H,1-10H3
InChIKeyZNEZXNSVTBKUIP-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.33
Rot. Bonds5

About tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane

tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane (PubChem CID 46318055) has the molecular formula C18H34BNO2SSi and a molecular weight of 367.44 g/mol. Its IUPAC name is tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane
PubChem CID46318055
Molecular FormulaC18H34BNO2SSi
Molecular Weight367.44 g/mol
Exact Mass367.22
IUPAC Nametri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane
SMILESCC(C)[Si](c1ncc(B2OC(C)(C)C(C)(C)O2)s1)(C(C)C)C(C)C
InChIInChI=1S/C18H34BNO2SSi/c1-12(2)24(13(3)4,14(5)6)16-20-11-15(23-16)19-21-17(7,8)18(9,10)22-19/h11-14H,1-10H3
InChIKeyZNEZXNSVTBKUIP-UHFFFAOYSA-N
XLogP4.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]hydroxylamine
CID 130053615
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]propan-2-ol
CID 86731681
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl] carbamate
CID 175058223
2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 66521304
tert-butyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 66687428
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperidin-4-one
CID 131439506
2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 66521513
4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 76850061
cis-(1R,2R)-2-ethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 164643981
N,N-bis(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 171059297
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol
CID 51358266
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-g][1]benzothiol-7-yl]-1,3,2-dioxaborolane
CID 58518174

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane?
The IUPAC name of tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane (CID 46318055) is tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane.
What is the SMILES notation for tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane?
The canonical SMILES for tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane is CC(C)[Si](c1ncc(B2OC(C)(C)C(C)(C)O2)s1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane?
The InChIKey is ZNEZXNSVTBKUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34BNO2SSi/c1-12(2)24(13(3)4,14(5)6)16-20-11-15(23-16)19-21-17(7,8)18(9,10)22-19/h11-14H,1-10H3.
What are the key properties of tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane?
tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane has a molecular weight of 367.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]silane is sourced from PubChem (CID 46318055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).