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

C12H16BN3O2S — CID 66521304

IUPAC2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESCC1(C)OB(c2cnc(-n3ccnc3)s2)OC1(C)C
InChIInChI=1S/C12H16BN3O2S/c1-11(2)12(3,4)18-13(17-11)9-7-15-10(19-9)16-6-5-14-8-16/h5-8H,1-4H3
InChIKeyAOWKJMCQZFONEP-UHFFFAOYSA-N
MW277.16 g/mol
LogP1.63
Rot. Bonds2

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

2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (PubChem CID 66521304) has the molecular formula C12H16BN3O2S and a molecular weight of 277.16 g/mol. Its IUPAC name is 2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
PubChem CID66521304
Molecular FormulaC12H16BN3O2S
Molecular Weight277.16 g/mol
Exact Mass277.11
IUPAC Name2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESCC1(C)OB(c2cnc(-n3ccnc3)s2)OC1(C)C
InChIInChI=1S/C12H16BN3O2S/c1-11(2)12(3,4)18-13(17-11)9-7-15-10(19-9)16-6-5-14-8-16/h5-8H,1-4H3
InChIKeyAOWKJMCQZFONEP-UHFFFAOYSA-N
XLogP1.63
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-imidazol-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

Related Compounds

2-imidazol-1-yl-5-methyl-1,3-thiazole
CID 59693976
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperidin-4-one
CID 131439506
4-imidazol-1-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 66521512
2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 66521513
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]hydroxylamine
CID 130053615
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl] carbamate
CID 175058223
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]propan-2-ol
CID 86731681
2-imidazol-1-yl-6-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172645499
tert-butyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 66687428
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-1-yl]pyrazine
CID 164662531
1,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 59474408
2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 51048808

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The IUPAC name of 2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (CID 66521304) is 2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is CC1(C)OB(c2cnc(-n3ccnc3)s2)OC1(C)C.
What is the InChIKey of 2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The InChIKey is AOWKJMCQZFONEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BN3O2S/c1-11(2)12(3,4)18-13(17-11)9-7-15-10(19-9)16-6-5-14-8-16/h5-8H,1-4H3.
What are the key properties of 2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole has a molecular weight of 277.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 66521304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).