4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole

C9H15NS2 — CID 122463121

IUPAC4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole
SMILESCCSCCc1nc(CC)cs1
InChIInChI=1S/C9H15NS2/c1-3-8-7-12-9(10-8)5-6-11-4-2/h7H,3-6H2,1-2H3
InChIKeyIBTYOESBYDOKGJ-UHFFFAOYSA-N
MW201.36 g/mol
LogP3.00
Rot. Bonds5

About 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole

4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole (PubChem CID 122463121) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole
PubChem CID122463121
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole
SMILESCCSCCc1nc(CC)cs1
InChIInChI=1S/C9H15NS2/c1-3-8-7-12-9(10-8)5-6-11-4-2/h7H,3-6H2,1-2H3
InChIKeyIBTYOESBYDOKGJ-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole (CID 122463121) is 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole is CCSCCc1nc(CC)cs1.
What is the InChIKey of 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole?
The InChIKey is IBTYOESBYDOKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-3-8-7-12-9(10-8)5-6-11-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole?
4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole has a molecular weight of 201.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole is sourced from PubChem (CID 122463121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).