2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde

C9H13N3OS — CID 90181955

IUPAC2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde
SMILESNN1CCC(c2nc(C=O)cs2)CC1
InChIInChI=1S/C9H13N3OS/c10-12-3-1-7(2-4-12)9-11-8(5-13)6-14-9/h5-7H,1-4,10H2
InChIKeyVZJXFAJNPSWGJG-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.01
Rot. Bonds2

About 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde

2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 90181955) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID90181955
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde
SMILESNN1CCC(c2nc(C=O)cs2)CC1
InChIInChI=1S/C9H13N3OS/c10-12-3-1-7(2-4-12)9-11-8(5-13)6-14-9/h5-7H,1-4,10H2
InChIKeyVZJXFAJNPSWGJG-UHFFFAOYSA-N
XLogP1.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde (CID 90181955) is 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde is NN1CCC(c2nc(C=O)cs2)CC1.
What is the InChIKey of 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is VZJXFAJNPSWGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-12-3-1-7(2-4-12)9-11-8(5-13)6-14-9/h5-7H,1-4,10H2.
What are the key properties of 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde?
2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 211.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopiperidin-4-yl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 90181955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).