5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde

C9H12N2OS — CID 130026564

IUPAC5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(N2CCCCC2)s1
InChIInChI=1S/C9H12N2OS/c12-7-8-10-6-9(13-8)11-4-2-1-3-5-11/h6-7H,1-5H2
InChIKeyNMDGGPVYHWEYOR-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.95
Rot. Bonds2

About 5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde

5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde (PubChem CID 130026564) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde
PubChem CID130026564
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(N2CCCCC2)s1
InChIInChI=1S/C9H12N2OS/c12-7-8-10-6-9(13-8)11-4-2-1-3-5-11/h6-7H,1-5H2
InChIKeyNMDGGPVYHWEYOR-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole
CID 163230037
2-(azepan-1-yl)pyrimidine-5-carbaldehyde
CID 62756388
(4S)-2-[(1E,3E)-4-(5-pyrrolidin-1-yl-1,3-thiazol-2-yl)buta-1,3-dienyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 177433519
3-methyl-2-pyrrolidin-1-ylimidazole-4-carbaldehyde
CID 82375841
5-bromo-1,3-thiazole-2-carbaldehyde;methane
CID 144718111
N-(5-morpholin-4-yl-1,3-thiazol-2-yl)formamide
CID 15398953
6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde
CID 115034801
ethane;2-piperidin-1-ylpyrimidin-5-amine
CID 166532022
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde
CID 53271773
3-piperidin-1-ylpyridine-2-carbaldehyde
CID 84662702

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde (CID 130026564) is 5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde is O=Cc1ncc(N2CCCCC2)s1.
What is the InChIKey of 5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde?
The InChIKey is NMDGGPVYHWEYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-7-8-10-6-9(13-8)11-4-2-1-3-5-11/h6-7H,1-5H2.
What are the key properties of 5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde?
5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde has a molecular weight of 196.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 130026564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).