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

C13H16N4OS — CID 170747771

IUPAC5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
SMILESCN(C)C1CCN(c2ccc3nc(C=O)sc3n2)C1
InChIInChI=1S/C13H16N4OS/c1-16(2)9-5-6-17(7-9)11-4-3-10-13(15-11)19-12(8-18)14-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyVDLJFSWZZZQZRD-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.64
Rot. Bonds3

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

5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde (PubChem CID 170747771) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
PubChem CID170747771
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
SMILESCN(C)C1CCN(c2ccc3nc(C=O)sc3n2)C1
InChIInChI=1S/C13H16N4OS/c1-16(2)9-5-6-17(7-9)11-4-3-10-13(15-11)19-12(8-18)14-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyVDLJFSWZZZQZRD-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde?
The IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde (CID 170747771) is 5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde is CN(C)C1CCN(c2ccc3nc(C=O)sc3n2)C1.
What is the InChIKey of 5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde?
The InChIKey is VDLJFSWZZZQZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16(2)9-5-6-17(7-9)11-4-3-10-13(15-11)19-12(8-18)14-10/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde?
5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde has a molecular weight of 276.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 170747771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).