4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole

C16H13ClN2S — CID 23829024

IUPAC4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole
SMILESCCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1
InChIInChI=1S/C16H13ClN2S/c1-2-14-9-12(7-8-18-14)16-19-15(10-20-16)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3
InChIKeyZNMIYSUPNOQXPL-UHFFFAOYSA-N
MW300.81 g/mol
LogP5.09
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole

4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole (PubChem CID 23829024) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole
PubChem CID23829024
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC Name4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole
SMILESCCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1
InChIInChI=1S/C16H13ClN2S/c1-2-14-9-12(7-8-18-14)16-19-15(10-20-16)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3
InChIKeyZNMIYSUPNOQXPL-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.81
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole (CID 23829024) is 4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole is CCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is ZNMIYSUPNOQXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c1-2-14-9-12(7-8-18-14)16-19-15(10-20-16)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 300.81 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-ethyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 23829024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).