N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine

C15H14ClN5OS — CID 123904311

IUPACN-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
SMILESClc1ccc2nc(NC3=NCC4(CN5CCC56CC46)O3)sc2n1
InChIInChI=1S/C15H14ClN5OS/c16-10-2-1-8-11(19-10)23-13(18-8)20-12-17-6-15(22-12)7-21-4-3-14(21)5-9(14)15/h1-2,9H,3-7H2,(H,17,18,20)
InChIKeyBDKPMTIGVNQMQM-UHFFFAOYSA-N
MW347.83 g/mol
LogP2.36
Rot. Bonds1

About N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine

N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine (PubChem CID 123904311) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine.

Molecular Properties

Compound NameN-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
PubChem CID123904311
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC NameN-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
SMILESClc1ccc2nc(NC3=NCC4(CN5CCC56CC46)O3)sc2n1
InChIInChI=1S/C15H14ClN5OS/c16-10-2-1-8-11(19-10)23-13(18-8)20-12-17-6-15(22-12)7-21-4-3-14(21)5-9(14)15/h1-2,9H,3-7H2,(H,17,18,20)
InChIKeyBDKPMTIGVNQMQM-UHFFFAOYSA-N
XLogP2.36
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine with MolForge

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
CID 147217616
(5R)-N-(6-methylpyrimidin-4-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
CID 163686867
N-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088161
N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
CID 123764481
CID 58088189
CID 58088189
N-(7-methoxy-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 76663419
CID 58088290
CID 58088290
N-(4-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 134155582
N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 75954292
5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 72709498
(1S,3S,4S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylspiro[1-azoniabicyclo[2.2.1]heptane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58486517
(2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide
CID 124740351

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
The IUPAC name of N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine (CID 123904311) is N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine.
What is the SMILES notation for N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
The canonical SMILES for N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine is Clc1ccc2nc(NC3=NCC4(CN5CCC56CC46)O3)sc2n1.
What is the InChIKey of N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
The InChIKey is BDKPMTIGVNQMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c16-10-2-1-8-11(19-10)23-13(18-8)20-12-17-6-15(22-12)7-21-4-3-14(21)5-9(14)15/h1-2,9H,3-7H2,(H,17,18,20).
What are the key properties of N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine has a molecular weight of 347.83 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine is sourced from PubChem (CID 123904311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).