4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

C10H12N2O3S — CID 87191235

IUPAC4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESO=Cc1csc(C2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C10H12N2O3S/c13-5-8-6-16-9(11-8)7-1-3-12(4-2-7)10(14)15/h5-7H,1-4H2,(H,14,15)
InChIKeyVBHFYTXFVWLMPE-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.81
Rot. Bonds2

About 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (PubChem CID 87191235) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
PubChem CID87191235
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESO=Cc1csc(C2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C10H12N2O3S/c13-5-8-6-16-9(11-8)7-1-3-12(4-2-7)10(14)15/h5-7H,1-4H2,(H,14,15)
InChIKeyVBHFYTXFVWLMPE-UHFFFAOYSA-N
XLogP1.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
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-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (CID 87191235) is 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is O=Cc1csc(C2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is VBHFYTXFVWLMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-5-8-6-16-9(11-8)7-1-3-12(4-2-7)10(14)15/h5-7H,1-4H2,(H,14,15).
What are the key properties of 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 240.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 87191235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).