5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione

C8H13NS2 — CID 130432027

IUPAC5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione
SMILESCCc1sc(=S)[nH]c1C(C)C
InChIInChI=1S/C8H13NS2/c1-4-6-7(5(2)3)9-8(10)11-6/h5H,4H2,1-3H3,(H,9,10)
InChIKeyISABBQQBYBOPPA-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.49
Rot. Bonds2

About 5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione

5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione (PubChem CID 130432027) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione
PubChem CID130432027
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione
SMILESCCc1sc(=S)[nH]c1C(C)C
InChIInChI=1S/C8H13NS2/c1-4-6-7(5(2)3)9-8(10)11-6/h5H,4H2,1-3H3,(H,9,10)
InChIKeyISABBQQBYBOPPA-UHFFFAOYSA-N
XLogP3.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione (CID 130432027) is 5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione is CCc1sc(=S)[nH]c1C(C)C.
What is the InChIKey of 5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione?
The InChIKey is ISABBQQBYBOPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-4-6-7(5(2)3)9-8(10)11-6/h5H,4H2,1-3H3,(H,9,10).
What are the key properties of 5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione?
5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione has a molecular weight of 187.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 130432027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).