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

C11H16N2OS — CID 62932559

IUPAC2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1(C)CCN(c2ncc(C=O)s2)CC1
InChIInChI=1S/C11H16N2OS/c1-11(2)3-5-13(6-4-11)10-12-7-9(8-14)15-10/h7-8H,3-6H2,1-2H3
InChIKeyJBZSMSDBRVIZHW-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.58
Rot. Bonds2

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

2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62932559) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID62932559
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1(C)CCN(c2ncc(C=O)s2)CC1
InChIInChI=1S/C11H16N2OS/c1-11(2)3-5-13(6-4-11)10-12-7-9(8-14)15-10/h7-8H,3-6H2,1-2H3
InChIKeyJBZSMSDBRVIZHW-UHFFFAOYSA-N
XLogP2.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62749950
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 62750800
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62967092
N-[[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62931356
2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62757083
[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 65287071
2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde
CID 88964372
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 55160118
2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757246
2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757598
2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757973
4-[[4-(5-formyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 88990060

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 62932559) is 2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is CC1(C)CCN(c2ncc(C=O)s2)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is JBZSMSDBRVIZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-11(2)3-5-13(6-4-11)10-12-7-9(8-14)15-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 224.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62932559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).