5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

C10H16BNO2S — CID 46784911

IUPAC5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESCc1cnc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C10H16BNO2S/c1-7-6-12-8(15-7)11-13-9(2,3)10(4,5)14-11/h6H,1-5H3
InChIKeyLOEFTPIZRSSKLD-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.75
Rot. Bonds1

About 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (PubChem CID 46784911) has the molecular formula C10H16BNO2S and a molecular weight of 225.12 g/mol. Its IUPAC name is 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
PubChem CID46784911
Molecular FormulaC10H16BNO2S
Molecular Weight225.12 g/mol
Exact Mass225.10
IUPAC Name5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESCc1cnc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C10H16BNO2S/c1-7-6-12-8(15-7)11-13-9(2,3)10(4,5)14-11/h6H,1-5H3
InChIKeyLOEFTPIZRSSKLD-UHFFFAOYSA-N
XLogP1.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (CID 46784911) is 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is Cc1cnc(B2OC(C)(C)C(C)(C)O2)s1.
What is the InChIKey of 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The InChIKey is LOEFTPIZRSSKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BNO2S/c1-7-6-12-8(15-7)11-13-9(2,3)10(4,5)14-11/h6H,1-5H3.
What are the key properties of 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole has a molecular weight of 225.12 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 46784911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).