2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde

C10H14N2OS — CID 62757246

IUPAC2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1CCCCN1c1ncc(C=O)s1
InChIInChI=1S/C10H14N2OS/c1-8-4-2-3-5-12(8)10-11-6-9(7-13)14-10/h6-8H,2-5H2,1H3
InChIKeyXMPGYYBBNVKION-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.33
Rot. Bonds2

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

2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62757246) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID62757246
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1CCCCN1c1ncc(C=O)s1
InChIInChI=1S/C10H14N2OS/c1-8-4-2-3-5-12(8)10-11-6-9(7-13)14-10/h6-8H,2-5H2,1H3
InChIKeyXMPGYYBBNVKION-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757973
2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757598
5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 79035369
[2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62752011
2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 66521513
4-chloro-2-(2-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687257
2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62932559
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 55160118
3-chloro-5-(2-methylpiperidin-1-yl)pyrazine-2-carbaldehyde
CID 86648988
2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62757083
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 62750800
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde
CID 115090621

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 62757246) is 2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is CC1CCCCN1c1ncc(C=O)s1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is XMPGYYBBNVKION-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-4-2-3-5-12(8)10-11-6-9(7-13)14-10/h6-8H,2-5H2,1H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 210.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62757246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).