4-(2-aminoethyl)-3H-1,3-thiazole-2-thione

C5H8N2S2 — CID 67482243

IUPAC4-(2-aminoethyl)-3H-1,3-thiazole-2-thione
SMILESNCCc1csc(=S)[nH]1
InChIInChI=1S/C5H8N2S2/c6-2-1-4-3-9-5(8)7-4/h3H,1-2,6H2,(H,7,8)
InChIKeyZMZWBCSATZZJEU-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.31
Rot. Bonds2

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

4-(2-aminoethyl)-3H-1,3-thiazole-2-thione (PubChem CID 67482243) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(2-aminoethyl)-3H-1,3-thiazole-2-thione
PubChem CID67482243
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name4-(2-aminoethyl)-3H-1,3-thiazole-2-thione
SMILESNCCc1csc(=S)[nH]1
InChIInChI=1S/C5H8N2S2/c6-2-1-4-3-9-5(8)7-4/h3H,1-2,6H2,(H,7,8)
InChIKeyZMZWBCSATZZJEU-UHFFFAOYSA-N
XLogP1.31
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
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 4-(2-aminoethyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(2-aminoethyl)-3H-1,3-thiazole-2-thione (CID 67482243) is 4-(2-aminoethyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(2-aminoethyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(2-aminoethyl)-3H-1,3-thiazole-2-thione is NCCc1csc(=S)[nH]1.
What is the InChIKey of 4-(2-aminoethyl)-3H-1,3-thiazole-2-thione?
The InChIKey is ZMZWBCSATZZJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c6-2-1-4-3-9-5(8)7-4/h3H,1-2,6H2,(H,7,8).
What are the key properties of 4-(2-aminoethyl)-3H-1,3-thiazole-2-thione?
4-(2-aminoethyl)-3H-1,3-thiazole-2-thione has a molecular weight of 160.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 67482243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).