2-(4-methylidenepiperidin-1-yl)-1,3-thiazole

C9H12N2S — CID 55250932

IUPAC2-(4-methylidenepiperidin-1-yl)-1,3-thiazole
SMILESC=C1CCN(c2nccs2)CC1
InChIInChI=1S/C9H12N2S/c1-8-2-5-11(6-3-8)9-10-4-7-12-9/h4,7H,1-3,5-6H2
InChIKeyMHBSQAIGBFXDGE-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.30
Rot. Bonds1

About 2-(4-methylidenepiperidin-1-yl)-1,3-thiazole

2-(4-methylidenepiperidin-1-yl)-1,3-thiazole (PubChem CID 55250932) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-(4-methylidenepiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylidenepiperidin-1-yl)-1,3-thiazole
PubChem CID55250932
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-(4-methylidenepiperidin-1-yl)-1,3-thiazole
SMILESC=C1CCN(c2nccs2)CC1
InChIInChI=1S/C9H12N2S/c1-8-2-5-11(6-3-8)9-10-4-7-12-9/h4,7H,1-3,5-6H2
InChIKeyMHBSQAIGBFXDGE-UHFFFAOYSA-N
XLogP2.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylidenepiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-methylidenepiperidin-1-yl)-1,3-thiazole (CID 55250932) is 2-(4-methylidenepiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-methylidenepiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-methylidenepiperidin-1-yl)-1,3-thiazole is C=C1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(4-methylidenepiperidin-1-yl)-1,3-thiazole?
The InChIKey is MHBSQAIGBFXDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-8-2-5-11(6-3-8)9-10-4-7-12-9/h4,7H,1-3,5-6H2.
What are the key properties of 2-(4-methylidenepiperidin-1-yl)-1,3-thiazole?
2-(4-methylidenepiperidin-1-yl)-1,3-thiazole has a molecular weight of 180.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidenepiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 55250932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).