2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde

C12H18N2OS — CID 115090621

IUPAC2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC(C)N1CCCCC1c1ncc(C=O)s1
InChIInChI=1S/C12H18N2OS/c1-9(2)14-6-4-3-5-11(14)12-13-7-10(8-15)16-12/h7-9,11H,3-6H2,1-2H3
InChIKeyWSPXXMIUJSOLER-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.89
Rot. Bonds3

About 2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde

2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 115090621) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID115090621
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC(C)N1CCCCC1c1ncc(C=O)s1
InChIInChI=1S/C12H18N2OS/c1-9(2)14-6-4-3-5-11(14)12-13-7-10(8-15)16-12/h7-9,11H,3-6H2,1-2H3
InChIKeyWSPXXMIUJSOLER-UHFFFAOYSA-N
XLogP2.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde (CID 115090621) is 2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde is CC(C)N1CCCCC1c1ncc(C=O)s1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is WSPXXMIUJSOLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(2)14-6-4-3-5-11(14)12-13-7-10(8-15)16-12/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 238.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 115090621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).