N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide

C11H17BN2O3S — CID 66524864

IUPACN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C11H17BN2O3S/c1-7(15)14-9-13-6-8(18-9)12-16-10(2,3)11(4,5)17-12/h6H,1-5H3,(H,13,14,15)
InChIKeyCAWPWOIZCNGTJZ-UHFFFAOYSA-N
MW268.15 g/mol
LogP1.40
Rot. Bonds2

About N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide

N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 66524864) has the molecular formula C11H17BN2O3S and a molecular weight of 268.15 g/mol. Its IUPAC name is N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID66524864
Molecular FormulaC11H17BN2O3S
Molecular Weight268.15 g/mol
Exact Mass268.11
IUPAC NameN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C11H17BN2O3S/c1-7(15)14-9-13-6-8(18-9)12-16-10(2,3)11(4,5)17-12/h6H,1-5H3,(H,13,14,15)
InChIKeyCAWPWOIZCNGTJZ-UHFFFAOYSA-N
XLogP1.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide (CID 66524864) is N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1.
What is the InChIKey of N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CAWPWOIZCNGTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O3S/c1-7(15)14-9-13-6-8(18-9)12-16-10(2,3)11(4,5)17-12/h6H,1-5H3,(H,13,14,15).
What are the key properties of N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide?
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 268.15 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 66524864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).