N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine

C16H17ClN4OS — CID 137192465

IUPACN-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
SMILESClc1csc2nc(/N=C3/CC4(CN5CCC4CC5)ON3)ccc12
InChIInChI=1S/C16H17ClN4OS/c17-12-8-23-15-11(12)1-2-13(19-15)18-14-7-16(22-20-14)9-21-5-3-10(16)4-6-21/h1-2,8,10H,3-7,9H2,(H,18,19,20)
InChIKeyRIXQGNCAGWTPLX-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.37
Rot. Bonds1

About N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine

N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine (PubChem CID 137192465) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine.

Molecular Properties

Compound NameN-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
PubChem CID137192465
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC NameN-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
SMILESClc1csc2nc(/N=C3/CC4(CN5CCC4CC5)ON3)ccc12
InChIInChI=1S/C16H17ClN4OS/c17-12-8-23-15-11(12)1-2-13(19-15)18-14-7-16(22-20-14)9-21-5-3-10(16)4-6-21/h1-2,8,10H,3-7,9H2,(H,18,19,20)
InChIKeyRIXQGNCAGWTPLX-UHFFFAOYSA-N
XLogP3.37
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137192450
(5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211103
(Z,5R)-N-(6,7-dichloro-1,3-benzothiazol-2-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride
CID 137211225
(5R)-N-(3-chloro-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211172
(5R)-N-(7-fluoroisoquinolin-3-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211236
(5R)-N-(6-fluoroisoquinolin-3-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211126
N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211216
(5R)-N-(4-chloro-3-cyclopropylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride
CID 137211220
(Z)-N-(6-methylthieno[2,3-d]pyrimidin-2-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211246
(5R)-N-[6-(trifluoromethyl)isoquinolin-3-yl]spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211217
N-[3-chloro-4-(trifluoromethyl)phenyl]spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211147
N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211245

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?
The IUPAC name of N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine (CID 137192465) is N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine.
What is the SMILES notation for N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?
The canonical SMILES for N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine is Clc1csc2nc(/N=C3/CC4(CN5CCC4CC5)ON3)ccc12.
What is the InChIKey of N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?
The InChIKey is RIXQGNCAGWTPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c17-12-8-23-15-11(12)1-2-13(19-15)18-14-7-16(22-20-14)9-21-5-3-10(16)4-6-21/h1-2,8,10H,3-7,9H2,(H,18,19,20).
What are the key properties of N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?
N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine has a molecular weight of 348.86 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorothieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine is sourced from PubChem (CID 137192465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).