4-(4-ethylphenyl)-1,3-thiazole

C11H11NS — CID 3919361

IUPAC4-(4-ethylphenyl)-1,3-thiazole
SMILESCCc1ccc(-c2cscn2)cc1
InChIInChI=1S/C11H11NS/c1-2-9-3-5-10(6-4-9)11-7-13-8-12-11/h3-8H,2H2,1H3
InChIKeyLIYDFZJCAVAOSY-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.37
Rot. Bonds2

About 4-(4-ethylphenyl)-1,3-thiazole

4-(4-ethylphenyl)-1,3-thiazole (PubChem CID 3919361) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1,3-thiazole
PubChem CID3919361
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name4-(4-ethylphenyl)-1,3-thiazole
SMILESCCc1ccc(-c2cscn2)cc1
InChIInChI=1S/C11H11NS/c1-2-9-3-5-10(6-4-9)11-7-13-8-12-11/h3-8H,2H2,1H3
InChIKeyLIYDFZJCAVAOSY-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 4-(4-ethylphenyl)-1,3-thiazole?
The IUPAC name of 4-(4-ethylphenyl)-1,3-thiazole (CID 3919361) is 4-(4-ethylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-ethylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(4-ethylphenyl)-1,3-thiazole is CCc1ccc(-c2cscn2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1,3-thiazole?
The InChIKey is LIYDFZJCAVAOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-2-9-3-5-10(6-4-9)11-7-13-8-12-11/h3-8H,2H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-1,3-thiazole?
4-(4-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 4-(4-ethylphenyl)-1,3-thiazole is sourced from PubChem (CID 3919361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).