4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole

C21H16N2OS — CID 3024899

IUPAC4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)sc2-c2cccnc2)cc1
InChIInChI=1S/C21H16N2OS/c1-24-18-11-9-15(10-12-18)19-20(17-8-5-13-22-14-17)25-21(23-19)16-6-3-2-4-7-16/h2-14H,1H3
InChIKeyUSDPJLQQSGAMIJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.55
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole

4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole (PubChem CID 3024899) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole
PubChem CID3024899
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)sc2-c2cccnc2)cc1
InChIInChI=1S/C21H16N2OS/c1-24-18-11-9-15(10-12-18)19-20(17-8-5-13-22-14-17)25-21(23-19)16-6-3-2-4-7-16/h2-14H,1H3
InChIKeyUSDPJLQQSGAMIJ-UHFFFAOYSA-N
XLogP5.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole (CID 3024899) is 4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole is COc1ccc(-c2nc(-c3ccccc3)sc2-c2cccnc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole?
The InChIKey is USDPJLQQSGAMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c1-24-18-11-9-15(10-12-18)19-20(17-8-5-13-22-14-17)25-21(23-19)16-6-3-2-4-7-16/h2-14H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole?
4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole has a molecular weight of 344.44 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 3024899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).