5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole

C11H16BNO2S — CID 165471184

IUPAC5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole
SMILESCC1(C)OB(/C=C/c2cncs2)OC1(C)C
InChIInChI=1S/C11H16BNO2S/c1-10(2)11(3,4)15-12(14-10)6-5-9-7-13-8-16-9/h5-8H,1-4H3/b6-5+
InChIKeyANDZYTWTRFZYGS-AATRIKPKSA-N
MW237.13 g/mol
LogP2.79
Rot. Bonds2

About 5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole

5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole (PubChem CID 165471184) has the molecular formula C11H16BNO2S and a molecular weight of 237.13 g/mol. Its IUPAC name is 5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole
PubChem CID165471184
Molecular FormulaC11H16BNO2S
Molecular Weight237.13 g/mol
Exact Mass237.10
IUPAC Name5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole
SMILESCC1(C)OB(/C=C/c2cncs2)OC1(C)C
InChIInChI=1S/C11H16BNO2S/c1-10(2)11(3,4)15-12(14-10)6-5-9-7-13-8-16-9/h5-8H,1-4H3/b6-5+
InChIKeyANDZYTWTRFZYGS-AATRIKPKSA-N
XLogP2.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.79
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

1-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazole
CID 165471185
5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-(trifluoromethyl)pyrimidine
CID 166595394
2-chloro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 74789218
(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol
CID 166102136
ethane;1,3-thiazole-5-carbaldehyde
CID 143223157
3-(1,3-thiazol-5-yl)prop-2-enoic acid
CID 67437915
N,2-dimethyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 74890181
5-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 57416573
2-chloro-5-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74888593
3-[(2S)-aziridin-2-yl]-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416728
N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide
CID 74890231
4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]methyl]morpholine
CID 66734173

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole?
The IUPAC name of 5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole (CID 165471184) is 5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole?
The canonical SMILES for 5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole is CC1(C)OB(/C=C/c2cncs2)OC1(C)C.
What is the InChIKey of 5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole?
The InChIKey is ANDZYTWTRFZYGS-AATRIKPKSA-N. The full InChI is InChI=1S/C11H16BNO2S/c1-10(2)11(3,4)15-12(14-10)6-5-9-7-13-8-16-9/h5-8H,1-4H3/b6-5+.
What are the key properties of 5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole?
5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole has a molecular weight of 237.13 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 165471184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).