N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine

C21H24BN3O2S — CID 89423164

IUPACN-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cs2)n1
InChIInChI=1S/C21H24BN3O2S/c1-14-7-6-8-18(23-14)25-19-24-17(13-28-19)15-9-11-16(12-10-15)22-26-20(2,3)21(4,5)27-22/h6-13H,1-5H3,(H,23,24,25)
InChIKeyNEXUOSJHWSIGNJ-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.56
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine

N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 89423164) has the molecular formula C21H24BN3O2S and a molecular weight of 393.32 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID89423164
Molecular FormulaC21H24BN3O2S
Molecular Weight393.32 g/mol
Exact Mass393.17
IUPAC NameN-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cs2)n1
InChIInChI=1S/C21H24BN3O2S/c1-14-7-6-8-18(23-14)25-19-24-17(13-28-19)15-9-11-16(12-10-15)22-26-20(2,3)21(4,5)27-22/h6-13H,1-5H3,(H,23,24,25)
InChIKeyNEXUOSJHWSIGNJ-UHFFFAOYSA-N
XLogP4.56
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 4607845
4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423177
4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89427087
4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 25205063
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90509929
4-(4-fluorophenyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 972745
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 75486944
2-phenyl-4-(4-phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 139034816
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzene-1,3-diol
CID 144987923
4,4,5,5-tetramethyl-2-[4-(4-phosphorosophenyl)phenyl]-1,3,2-dioxaborolane
CID 175044062

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine (CID 89423164) is N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cs2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is NEXUOSJHWSIGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BN3O2S/c1-14-7-6-8-18(23-14)25-19-24-17(13-28-19)15-9-11-16(12-10-15)22-26-20(2,3)21(4,5)27-22/h6-13H,1-5H3,(H,23,24,25).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine?
N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 393.32 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89423164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).