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

C9H12N2OS — CID 1479774

IUPAC2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCCCC2)s1
InChIInChI=1S/C9H12N2OS/c12-7-8-6-10-9(13-8)11-4-2-1-3-5-11/h6-7H,1-5H2
InChIKeyNWOAHSDBLWFXAG-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.95
Rot. Bonds2

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

2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 1479774) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
PubChem CID1479774
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCCCC2)s1
InChIInChI=1S/C9H12N2OS/c12-7-8-6-10-9(13-8)11-4-2-1-3-5-11/h6-7H,1-5H2
InChIKeyNWOAHSDBLWFXAG-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

2-(4-Methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 1490234
2-(Dimethylamino)-1,3-thiazole-5-carbaldehyde
CID 12846795
2-Amino-1,3-thiazole-5-carbaldehyde
CID 2737798
2-(Diethylamino)-1,3-thiazole-5-carbaldehyde
CID 2785412
2-(Morpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 1479770
2-(Ethylamino)-1,3-thiazole-5-carbaldehyde
CID 82416119
2-(4-(Trifluoromethyl)piperidin-1-yl)thiazole-5-carbaldehyde
CID 42544138
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62749772
2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750118
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750292
2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750967
2-[Methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62751135

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde (CID 1479774) is 2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(N2CCCCC2)s1.
What is the InChIKey of 2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is NWOAHSDBLWFXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-7-8-6-10-9(13-8)11-4-2-1-3-5-11/h6-7H,1-5H2.
What are the key properties of 2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
2-piperidin-1-yl-1,3-thiazole-5-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 2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 1479774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).