4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine

C16H25BN2O3S — CID 66734173

IUPAC4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine
SMILESCC1(C)OB(C=Cc2csc(CN3CCOCC3)n2)OC1(C)C
InChIInChI=1S/C16H25BN2O3S/c1-15(2)16(3,4)22-17(21-15)6-5-13-12-23-14(18-13)11-19-7-9-20-10-8-19/h5-6,12H,7-11H2,1-4H3
InChIKeyGBJOZZIBLUTLQE-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.62
Rot. Bonds4

About 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine

4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine (PubChem CID 66734173) has the molecular formula C16H25BN2O3S and a molecular weight of 336.27 g/mol. Its IUPAC name is 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine
PubChem CID66734173
Molecular FormulaC16H25BN2O3S
Molecular Weight336.27 g/mol
Exact Mass336.17
IUPAC Name4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine
SMILESCC1(C)OB(C=Cc2csc(CN3CCOCC3)n2)OC1(C)C
InChIInChI=1S/C16H25BN2O3S/c1-15(2)16(3,4)22-17(21-15)6-5-13-12-23-14(18-13)11-19-7-9-20-10-8-19/h5-6,12H,7-11H2,1-4H3
InChIKeyGBJOZZIBLUTLQE-UHFFFAOYSA-N
XLogP2.62
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine 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 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine (CID 66734173) is 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine is CC1(C)OB(C=Cc2csc(CN3CCOCC3)n2)OC1(C)C.
What is the InChIKey of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine?
The InChIKey is GBJOZZIBLUTLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O3S/c1-15(2)16(3,4)22-17(21-15)6-5-13-12-23-14(18-13)11-19-7-9-20-10-8-19/h5-6,12H,7-11H2,1-4H3.
What are the key properties of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine?
4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine has a molecular weight of 336.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 66734173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).