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

C12H18N2OS — CID 62749950

IUPAC2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCCC1CCN(c2ncc(C=O)s2)CC1
InChIInChI=1S/C12H18N2OS/c1-2-3-10-4-6-14(7-5-10)12-13-8-11(9-15)16-12/h8-10H,2-7H2,1H3
InChIKeyKOIVUWBGGFQVSB-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.97
Rot. Bonds4

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

2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62749950) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID62749950
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCCC1CCN(c2ncc(C=O)s2)CC1
InChIInChI=1S/C12H18N2OS/c1-2-3-10-4-6-14(7-5-10)12-13-8-11(9-15)16-12/h8-10H,2-7H2,1H3
InChIKeyKOIVUWBGGFQVSB-UHFFFAOYSA-N
XLogP2.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.97
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-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 62750800
2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62932559
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55112159
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62754570
4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62766111
6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80632070
4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687435
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 55160118
2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62757083
2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757598
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62967092
4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
CID 83155979

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 62749950) is 2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is CCCC1CCN(c2ncc(C=O)s2)CC1.
What is the InChIKey of 2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is KOIVUWBGGFQVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-3-10-4-6-14(7-5-10)12-13-8-11(9-15)16-12/h8-10H,2-7H2,1H3.
What are the key properties of 2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 238.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62749950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).