5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione

C10H18N2S2 — CID 22097514

IUPAC5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione
SMILESCC1SC(C2CCN(C)CC2)NC1=S
InChIInChI=1S/C10H18N2S2/c1-7-9(13)11-10(14-7)8-3-5-12(2)6-4-8/h7-8,10H,3-6H2,1-2H3,(H,11,13)
InChIKeyYNRWQRBUPXXCGI-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.71
Rot. Bonds1

About 5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione

5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione (PubChem CID 22097514) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione.

Molecular Properties

Compound Name5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione
PubChem CID22097514
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione
SMILESCC1SC(C2CCN(C)CC2)NC1=S
InChIInChI=1S/C10H18N2S2/c1-7-9(13)11-10(14-7)8-3-5-12(2)6-4-8/h7-8,10H,3-6H2,1-2H3,(H,11,13)
InChIKeyYNRWQRBUPXXCGI-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione?
The IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione (CID 22097514) is 5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione.
What is the SMILES notation for 5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione?
The canonical SMILES for 5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione is CC1SC(C2CCN(C)CC2)NC1=S.
What is the InChIKey of 5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione?
The InChIKey is YNRWQRBUPXXCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-7-9(13)11-10(14-7)8-3-5-12(2)6-4-8/h7-8,10H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione?
5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione has a molecular weight of 230.40 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazolidine-4-thione is sourced from PubChem (CID 22097514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).