5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde

C14H16N4OS — CID 177202634

IUPAC5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
SMILESO=Cc1nc2ccc(N3CCC(N4CCC4)C3)nc2s1
InChIInChI=1S/C14H16N4OS/c19-9-13-15-11-2-3-12(16-14(11)20-13)18-7-4-10(8-18)17-5-1-6-17/h2-3,9-10H,1,4-8H2
InChIKeyHCAYIPPQGIJXBN-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.79
Rot. Bonds3

About 5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde

5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde (PubChem CID 177202634) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
PubChem CID177202634
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
SMILESO=Cc1nc2ccc(N3CCC(N4CCC4)C3)nc2s1
InChIInChI=1S/C14H16N4OS/c19-9-13-15-11-2-3-12(16-14(11)20-13)18-7-4-10(8-18)17-5-1-6-17/h2-3,9-10H,1,4-8H2
InChIKeyHCAYIPPQGIJXBN-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
CID 170747771
1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone
CID 177202631
6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine
CID 177202616
5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine
CID 177202560
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 55160118
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)benzaldehyde
CID 55166369
3-amino-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 103468387
2-[3-(azepan-1-yl)piperidin-1-yl]quinoline
CID 133454492
N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine
CID 80827880
4-tert-butyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 63513748
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-bromobenzaldehyde
CID 63150716

Frequently Asked Questions

What is the IUPAC name of 5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde?
The IUPAC name of 5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde (CID 177202634) is 5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde is O=Cc1nc2ccc(N3CCC(N4CCC4)C3)nc2s1.
What is the InChIKey of 5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde?
The InChIKey is HCAYIPPQGIJXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-9-13-15-11-2-3-12(16-14(11)20-13)18-7-4-10(8-18)17-5-1-6-17/h2-3,9-10H,1,4-8H2.
What are the key properties of 5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde?
5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde has a molecular weight of 288.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 177202634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).