5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine

C14H19N5OS — CID 177202560

IUPAC5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine
SMILESCN.O=Cc1nc2ccc(N3CCC4(CCN4)C3)nc2s1
InChIInChI=1S/C13H14N4OS.CH5N/c18-7-11-15-9-1-2-10(16-12(9)19-11)17-6-4-13(8-17)3-5-14-13;1-2/h1-2,7,14H,3-6,8H2;2H2,1H3
InChIKeyOODQNLUIXRNCCV-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.02
Rot. Bonds2

About 5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine

5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine (PubChem CID 177202560) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine.

Molecular Properties

Compound Name5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine
PubChem CID177202560
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine
SMILESCN.O=Cc1nc2ccc(N3CCC4(CCN4)C3)nc2s1
InChIInChI=1S/C13H14N4OS.CH5N/c18-7-11-15-9-1-2-10(16-12(9)19-11)17-6-4-13(8-17)3-5-14-13;1-2/h1-2,7,14H,3-6,8H2;2H2,1H3
InChIKeyOODQNLUIXRNCCV-UHFFFAOYSA-N
XLogP1.02
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine?
The IUPAC name of 5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine (CID 177202560) is 5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine.
What is the SMILES notation for 5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine?
The canonical SMILES for 5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine is CN.O=Cc1nc2ccc(N3CCC4(CCN4)C3)nc2s1.
What is the InChIKey of 5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine?
The InChIKey is OODQNLUIXRNCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS.CH5N/c18-7-11-15-9-1-2-10(16-12(9)19-11)17-6-4-13(8-17)3-5-14-13;1-2/h1-2,7,14H,3-6,8H2;2H2,1H3.
What are the key properties of 5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine?
5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine has a molecular weight of 305.41 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine is sourced from PubChem (CID 177202560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).