4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde

C10H14N2OS — CID 2402636

IUPAC4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N2CCCCC2)sc1C=O
InChIInChI=1S/C10H14N2OS/c1-8-9(7-13)14-10(11-8)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKeyVMRLGMBBXTUOSO-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.25
Rot. Bonds2

About 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde

4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 2402636) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
PubChem CID2402636
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N2CCCCC2)sc1C=O
InChIInChI=1S/C10H14N2OS/c1-8-9(7-13)14-10(11-8)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKeyVMRLGMBBXTUOSO-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde (CID 2402636) is 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde is Cc1nc(N2CCCCC2)sc1C=O.
What is the InChIKey of 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is VMRLGMBBXTUOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-9(7-13)14-10(11-8)12-5-3-2-4-6-12/h7H,2-6H2,1H3.
What are the key properties of 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 210.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 2402636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).