4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole

C16H14N2O2S — CID 23408094

IUPAC4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccncc3)n2)c(OC)c1
InChIInChI=1S/C16H14N2O2S/c1-19-12-3-4-13(15(9-12)20-2)14-10-21-16(18-14)11-5-7-17-8-6-11/h3-10H,1-2H3
InChIKeyXFBUHXHQDVKLKE-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.89
Rot. Bonds4

About 4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole

4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 23408094) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID23408094
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccncc3)n2)c(OC)c1
InChIInChI=1S/C16H14N2O2S/c1-19-12-3-4-13(15(9-12)20-2)14-10-21-16(18-14)11-5-7-17-8-6-11/h3-10H,1-2H3
InChIKeyXFBUHXHQDVKLKE-UHFFFAOYSA-N
XLogP3.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole (CID 23408094) is 4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole is COc1ccc(-c2csc(-c3ccncc3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is XFBUHXHQDVKLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-19-12-3-4-13(15(9-12)20-2)14-10-21-16(18-14)11-5-7-17-8-6-11/h3-10H,1-2H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole?
4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 298.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 23408094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).