4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde

C14H20N2OS — CID 63917951

IUPAC4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1CCN(c2nc(C3CC3)c(C=O)s2)C(C)C1
InChIInChI=1S/C14H20N2OS/c1-9-5-6-16(10(2)7-9)14-15-13(11-3-4-11)12(8-17)18-14/h8-11H,3-7H2,1-2H3
InChIKeyGHGHCNAXTDMKQB-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.46
Rot. Bonds3

About 4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde

4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 63917951) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID63917951
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1CCN(c2nc(C3CC3)c(C=O)s2)C(C)C1
InChIInChI=1S/C14H20N2OS/c1-9-5-6-16(10(2)7-9)14-15-13(11-3-4-11)12(8-17)18-14/h8-11H,3-7H2,1-2H3
InChIKeyGHGHCNAXTDMKQB-UHFFFAOYSA-N
XLogP3.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.46
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 4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 63917951) is 4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is CC1CCN(c2nc(C3CC3)c(C=O)s2)C(C)C1.
What is the InChIKey of 4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is GHGHCNAXTDMKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9-5-6-16(10(2)7-9)14-15-13(11-3-4-11)12(8-17)18-14/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 264.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63917951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).