3,5-diethyl-4-phenyl-1,2-thiazole

C13H15NS — CID 135299784

IUPAC3,5-diethyl-4-phenyl-1,2-thiazole
SMILESCCc1nsc(CC)c1-c1ccccc1
InChIInChI=1S/C13H15NS/c1-3-11-13(12(4-2)15-14-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyZIUUWQAHEOQPNA-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.93
Rot. Bonds3

About 3,5-diethyl-4-phenyl-1,2-thiazole

3,5-diethyl-4-phenyl-1,2-thiazole (PubChem CID 135299784) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 3,5-diethyl-4-phenyl-1,2-thiazole.

Molecular Properties

Compound Name3,5-diethyl-4-phenyl-1,2-thiazole
PubChem CID135299784
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name3,5-diethyl-4-phenyl-1,2-thiazole
SMILESCCc1nsc(CC)c1-c1ccccc1
InChIInChI=1S/C13H15NS/c1-3-11-13(12(4-2)15-14-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyZIUUWQAHEOQPNA-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-phenyl-1,2-thiazole?
The IUPAC name of 3,5-diethyl-4-phenyl-1,2-thiazole (CID 135299784) is 3,5-diethyl-4-phenyl-1,2-thiazole.
What is the SMILES notation for 3,5-diethyl-4-phenyl-1,2-thiazole?
The canonical SMILES for 3,5-diethyl-4-phenyl-1,2-thiazole is CCc1nsc(CC)c1-c1ccccc1.
What is the InChIKey of 3,5-diethyl-4-phenyl-1,2-thiazole?
The InChIKey is ZIUUWQAHEOQPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-3-11-13(12(4-2)15-14-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 3,5-diethyl-4-phenyl-1,2-thiazole?
3,5-diethyl-4-phenyl-1,2-thiazole has a molecular weight of 217.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-phenyl-1,2-thiazole is sourced from PubChem (CID 135299784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).