4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione

C9H14N2S2 — CID 116966069

IUPAC4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione
SMILESCN1CCCC(c2csc(=S)[nH]2)C1
InChIInChI=1S/C9H14N2S2/c1-11-4-2-3-7(5-11)8-6-13-9(12)10-8/h6-7H,2-5H2,1H3,(H,10,12)
InChIKeyZNNXZBMLJHHAIH-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.61
Rot. Bonds1

About 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione

4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione (PubChem CID 116966069) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione
PubChem CID116966069
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione
SMILESCN1CCCC(c2csc(=S)[nH]2)C1
InChIInChI=1S/C9H14N2S2/c1-11-4-2-3-7(5-11)8-6-13-9(12)10-8/h6-7H,2-5H2,1H3,(H,10,12)
InChIKeyZNNXZBMLJHHAIH-UHFFFAOYSA-N
XLogP2.61
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-4-piperidin-3-yl-2H-1,3-thiazole;methanamine
CID 143328727
4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazole-2-thione
CID 83986239
4-(1-methylpiperidin-4-yl)-3H-1,3-thiazole-2-thione
CID 116966068
4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazole-2-thione
CID 116966070
4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one
CID 116966137
2,3-dimethyl-4-piperidin-3-yl-2H-1,3-thiazole
CID 143328728

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione (CID 116966069) is 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione is CN1CCCC(c2csc(=S)[nH]2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione?
The InChIKey is ZNNXZBMLJHHAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-11-4-2-3-7(5-11)8-6-13-9(12)10-8/h6-7H,2-5H2,1H3,(H,10,12).
What are the key properties of 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione?
4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione has a molecular weight of 214.36 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 116966069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).