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

C15H25BN2O2S — CID 66521513

IUPAC2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESCC1CCCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C15H25BN2O2S/c1-11-8-6-7-9-18(11)13-17-10-12(21-13)16-19-14(2,3)15(4,5)20-16/h10-11H,6-9H2,1-5H3
InChIKeyUONSZWQWAFWYLN-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.82
Rot. Bonds2

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

2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (PubChem CID 66521513) has the molecular formula C15H25BN2O2S and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
PubChem CID66521513
Molecular FormulaC15H25BN2O2S
Molecular Weight308.26 g/mol
Exact Mass308.17
IUPAC Name2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESCC1CCCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C15H25BN2O2S/c1-11-8-6-7-9-18(11)13-17-10-12(21-13)16-19-14(2,3)15(4,5)20-16/h10-11H,6-9H2,1-5H3
InChIKeyUONSZWQWAFWYLN-UHFFFAOYSA-N
XLogP2.82
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole 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 2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (CID 66521513) is 2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is CC1CCCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)s1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The InChIKey is UONSZWQWAFWYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BN2O2S/c1-11-8-6-7-9-18(11)13-17-10-12(21-13)16-19-14(2,3)15(4,5)20-16/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole has a molecular weight of 308.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 66521513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).