N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide

C18H24BN3O4S — CID 164732427

IUPACN-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
SMILESCC1(C)OB(c2cnc3snc(C(=O)NC4CCOCC4)c3c2)OC1(C)C
InChIInChI=1S/C18H24BN3O4S/c1-17(2)18(3,4)26-19(25-17)11-9-13-14(22-27-16(13)20-10-11)15(23)21-12-5-7-24-8-6-12/h9-10,12H,5-8H2,1-4H3,(H,21,23)
InChIKeyZVTCYBIWJDKUBC-UHFFFAOYSA-N
MW389.29 g/mol
LogP1.90
Rot. Bonds3

About N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide

N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 164732427) has the molecular formula C18H24BN3O4S and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
PubChem CID164732427
Molecular FormulaC18H24BN3O4S
Molecular Weight389.29 g/mol
Exact Mass389.16
IUPAC NameN-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
SMILESCC1(C)OB(c2cnc3snc(C(=O)NC4CCOCC4)c3c2)OC1(C)C
InChIInChI=1S/C18H24BN3O4S/c1-17(2)18(3,4)26-19(25-17)11-9-13-14(22-27-16(13)20-10-11)15(23)21-12-5-7-24-8-6-12/h9-10,12H,5-8H2,1-4H3,(H,21,23)
InChIKeyZVTCYBIWJDKUBC-UHFFFAOYSA-N
XLogP1.90
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide (CID 164732427) is N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide is CC1(C)OB(c2cnc3snc(C(=O)NC4CCOCC4)c3c2)OC1(C)C.
What is the InChIKey of N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is ZVTCYBIWJDKUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BN3O4S/c1-17(2)18(3,4)26-19(25-17)11-9-13-14(22-27-16(13)20-10-11)15(23)21-12-5-7-24-8-6-12/h9-10,12H,5-8H2,1-4H3,(H,21,23).
What are the key properties of N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 164732427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).