5-(2-ethylphenyl)-1,3-thiazole

C11H11NS — CID 67816581

IUPAC5-(2-ethylphenyl)-1,3-thiazole
SMILESCCc1ccccc1-c1cncs1
InChIInChI=1S/C11H11NS/c1-2-9-5-3-4-6-10(9)11-7-12-8-13-11/h3-8H,2H2,1H3
InChIKeyZLFBVJPPKSKSCB-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.37
Rot. Bonds2

About 5-(2-ethylphenyl)-1,3-thiazole

5-(2-ethylphenyl)-1,3-thiazole (PubChem CID 67816581) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-ethylphenyl)-1,3-thiazole
PubChem CID67816581
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name5-(2-ethylphenyl)-1,3-thiazole
SMILESCCc1ccccc1-c1cncs1
InChIInChI=1S/C11H11NS/c1-2-9-5-3-4-6-10(9)11-7-12-8-13-11/h3-8H,2H2,1H3
InChIKeyZLFBVJPPKSKSCB-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-1,3-thiazole?
The IUPAC name of 5-(2-ethylphenyl)-1,3-thiazole (CID 67816581) is 5-(2-ethylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-ethylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(2-ethylphenyl)-1,3-thiazole is CCc1ccccc1-c1cncs1.
What is the InChIKey of 5-(2-ethylphenyl)-1,3-thiazole?
The InChIKey is ZLFBVJPPKSKSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-2-9-5-3-4-6-10(9)11-7-12-8-13-11/h3-8H,2H2,1H3.
What are the key properties of 5-(2-ethylphenyl)-1,3-thiazole?
5-(2-ethylphenyl)-1,3-thiazole has a molecular weight of 189.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-1,3-thiazole is sourced from PubChem (CID 67816581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).