2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde

C12H13N3OS — CID 76850430

IUPAC2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde
SMILESO=Cc1ccnc2nc(N3CCCCC3)sc12
InChIInChI=1S/C12H13N3OS/c16-8-9-4-5-13-11-10(9)17-12(14-11)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeyNGZPOFZJQHLPNK-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.49
Rot. Bonds2

About 2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde

2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde (PubChem CID 76850430) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde
PubChem CID76850430
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde
SMILESO=Cc1ccnc2nc(N3CCCCC3)sc12
InChIInChI=1S/C12H13N3OS/c16-8-9-4-5-13-11-10(9)17-12(14-11)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeyNGZPOFZJQHLPNK-UHFFFAOYSA-N
XLogP2.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide
CID 176655163
Thiazolo[4,5-b]pyridine-5-carbaldehyde,2-(1-piperidinyl)-
CID 76850403
4-[7-(Dichloromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine
CID 134835005
Thiazolo[4,5-b]pyridine-6-carbaldehyde,2-[(1-methylethyl)amino]-
CID 57527244
2,7-Dimethyl-[1,3]thiazolo[4,5-b]pyridine
CID 58077927
7-Methyl-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine
CID 59298217
2-Ethyl-7-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 59298218
2-(Hydroxymethyl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
CID 71256652
Thiazolo[4,5-b]pyridine-6-carbaldehyde
CID 76850412
[1,3]Thiazolo[4,5-b]pyridine-7-carbaldehyde
CID 76850429
Thiazolo[4,5-b]pyridine-7-carboxylic acid,2-amino-,ethyl ester
CID 76850435
2-(4-Methylthiazol-2-ylamino)isonicotinaldehyde
CID 86634740

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde?
The IUPAC name of 2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde (CID 76850430) is 2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde?
The canonical SMILES for 2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde is O=Cc1ccnc2nc(N3CCCCC3)sc12.
What is the InChIKey of 2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde?
The InChIKey is NGZPOFZJQHLPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c16-8-9-4-5-13-11-10(9)17-12(14-11)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2.
What are the key properties of 2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde?
2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde has a molecular weight of 247.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbaldehyde is sourced from PubChem (CID 76850430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).