5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C16H23BrN4S — CID 153383545

IUPAC5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCN(c1nc2ccc(Br)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H23BrN4S/c1-15(2)8-10(9-16(3,4)20-15)21(5)14-18-11-6-7-12(17)19-13(11)22-14/h6-7,10,20H,8-9H2,1-5H3
InChIKeyZWOOUEKALJVRPI-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.20
Rot. Bonds2

About 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 153383545) has the molecular formula C16H23BrN4S and a molecular weight of 383.36 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID153383545
Molecular FormulaC16H23BrN4S
Molecular Weight383.36 g/mol
Exact Mass382.08
IUPAC Name5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCN(c1nc2ccc(Br)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H23BrN4S/c1-15(2)8-10(9-16(3,4)20-15)21(5)14-18-11-6-7-12(17)19-13(11)22-14/h6-7,10,20H,8-9H2,1-5H3
InChIKeyZWOOUEKALJVRPI-UHFFFAOYSA-N
XLogP4.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 153383545) is 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is CN(c1nc2ccc(Br)nc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is ZWOOUEKALJVRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4S/c1-15(2)8-10(9-16(3,4)20-15)21(5)14-18-11-6-7-12(17)19-13(11)22-14/h6-7,10,20H,8-9H2,1-5H3.
What are the key properties of 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 383.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 153383545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).