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

C5H8N2S2 — CID 67482570

IUPAC4-(ethylamino)-3H-1,3-thiazole-2-thione
SMILESCCNc1csc(=S)[nH]1
InChIInChI=1S/C5H8N2S2/c1-2-6-4-3-9-5(8)7-4/h3,6H,2H2,1H3,(H,7,8)
InChIKeyGCXDSXNSAHPEDP-UHFFFAOYSA-N
MW160.27 g/mol
LogP2.24
Rot. Bonds2

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

4-(ethylamino)-3H-1,3-thiazole-2-thione (PubChem CID 67482570) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 4-(ethylamino)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(ethylamino)-3H-1,3-thiazole-2-thione
PubChem CID67482570
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name4-(ethylamino)-3H-1,3-thiazole-2-thione
SMILESCCNc1csc(=S)[nH]1
InChIInChI=1S/C5H8N2S2/c1-2-6-4-3-9-5(8)7-4/h3,6H,2H2,1H3,(H,7,8)
InChIKeyGCXDSXNSAHPEDP-UHFFFAOYSA-N
XLogP2.24
TPSA27.82 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 ≤ 52.24
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-(ethylamino)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(ethylamino)-3H-1,3-thiazole-2-thione (CID 67482570) is 4-(ethylamino)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(ethylamino)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(ethylamino)-3H-1,3-thiazole-2-thione is CCNc1csc(=S)[nH]1.
What is the InChIKey of 4-(ethylamino)-3H-1,3-thiazole-2-thione?
The InChIKey is GCXDSXNSAHPEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-2-6-4-3-9-5(8)7-4/h3,6H,2H2,1H3,(H,7,8).
What are the key properties of 4-(ethylamino)-3H-1,3-thiazole-2-thione?
4-(ethylamino)-3H-1,3-thiazole-2-thione has a molecular weight of 160.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 67482570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).