2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde

C10H14N2OS — CID 87394991

IUPAC2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde
SMILESO=CCC1CCNCC1c1cscn1
InChIInChI=1S/C10H14N2OS/c13-4-2-8-1-3-11-5-9(8)10-6-14-7-12-10/h4,6-9,11H,1-3,5H2
InChIKeyPNTLNHXTBODTGE-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.43
Rot. Bonds3

About 2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde

2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde (PubChem CID 87394991) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde
PubChem CID87394991
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde
SMILESO=CCC1CCNCC1c1cscn1
InChIInChI=1S/C10H14N2OS/c13-4-2-8-1-3-11-5-9(8)10-6-14-7-12-10/h4,6-9,11H,1-3,5H2
InChIKeyPNTLNHXTBODTGE-UHFFFAOYSA-N
XLogP1.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-piperidin-3-yl-1,3-thiazole;hydrobromide
CID 118295102
[(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride
CID 170914085
pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone
CID 130670441
2-(1,3-thiazol-4-yl)cyclopentan-1-ol
CID 127011648
2-(1,3-thiazol-4-yl)imidazolidin-4-one
CID 130626227
1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol
CID 130871256
N-ethyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 63299155
2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid
CID 117167997
3-cyclobutyl-4-(1,3-thiazol-4-yl)azetidin-2-one
CID 131138402
4-(oxan-2-yl)-1,3-thiazole
CID 91346575
2-piperidin-4-ylacetaldehyde
CID 23401441
2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63825914

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde?
The IUPAC name of 2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde (CID 87394991) is 2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde?
The canonical SMILES for 2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde is O=CCC1CCNCC1c1cscn1.
What is the InChIKey of 2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde?
The InChIKey is PNTLNHXTBODTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-4-2-8-1-3-11-5-9(8)10-6-14-7-12-10/h4,6-9,11H,1-3,5H2.
What are the key properties of 2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde?
2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde has a molecular weight of 210.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-thiazol-4-yl)piperidin-4-yl]acetaldehyde is sourced from PubChem (CID 87394991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).