2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole

C15H11ClN2OS — CID 2746092

IUPAC2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc(Oc3ccc(Cl)cc3)nc2)n1
InChIInChI=1S/C15H11ClN2OS/c1-10-9-20-15(18-10)11-2-7-14(17-8-11)19-13-5-3-12(16)4-6-13/h2-9H,1H3
InChIKeySKWBAKSNCLXOLO-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.96
Rot. Bonds3

About 2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole

2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole (PubChem CID 2746092) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole
PubChem CID2746092
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc(Oc3ccc(Cl)cc3)nc2)n1
InChIInChI=1S/C15H11ClN2OS/c1-10-9-20-15(18-10)11-2-7-14(17-8-11)19-13-5-3-12(16)4-6-13/h2-9H,1H3
InChIKeySKWBAKSNCLXOLO-UHFFFAOYSA-N
XLogP4.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole (CID 2746092) is 2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole is Cc1csc(-c2ccc(Oc3ccc(Cl)cc3)nc2)n1.
What is the InChIKey of 2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole?
The InChIKey is SKWBAKSNCLXOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-10-9-20-15(18-10)11-2-7-14(17-8-11)19-13-5-3-12(16)4-6-13/h2-9H,1H3.
What are the key properties of 2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole?
2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole has a molecular weight of 302.79 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenoxy)-3-pyridinyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 2746092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).