1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde

C10H14N2OS — CID 62663442

IUPAC1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde
SMILESCc1csc(N2CCC(C=O)CC2)n1
InChIInChI=1S/C10H14N2OS/c1-8-7-14-10(11-8)12-4-2-9(6-13)3-5-12/h6-7,9H,2-5H2,1H3
InChIKeyRHXRSGRDZHSUHE-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.87
Rot. Bonds2

About 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde

1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde (PubChem CID 62663442) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde
PubChem CID62663442
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde
SMILESCc1csc(N2CCC(C=O)CC2)n1
InChIInChI=1S/C10H14N2OS/c1-8-7-14-10(11-8)12-4-2-9(6-13)3-5-12/h6-7,9H,2-5H2,1H3
InChIKeyRHXRSGRDZHSUHE-UHFFFAOYSA-N
XLogP1.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.87
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 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde (CID 62663442) is 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde is Cc1csc(N2CCC(C=O)CC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde?
The InChIKey is RHXRSGRDZHSUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-7-14-10(11-8)12-4-2-9(6-13)3-5-12/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde?
1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde has a molecular weight of 210.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62663442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).