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

C15H13NO2S2 — CID 2468633

IUPAC4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3cccs3)n2)c(OC)c1
InChIInChI=1S/C15H13NO2S2/c1-17-10-5-6-11(13(8-10)18-2)12-9-20-15(16-12)14-4-3-7-19-14/h3-9H,1-2H3
InChIKeyBEJHBHZERATOLM-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.56
Rot. Bonds4

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

4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 2468633) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID2468633
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3cccs3)n2)c(OC)c1
InChIInChI=1S/C15H13NO2S2/c1-17-10-5-6-11(13(8-10)18-2)12-9-20-15(16-12)14-4-3-7-19-14/h3-9H,1-2H3
InChIKeyBEJHBHZERATOLM-UHFFFAOYSA-N
XLogP4.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.56
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-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole (CID 2468633) is 4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole is COc1ccc(-c2csc(-c3cccs3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is BEJHBHZERATOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c1-17-10-5-6-11(13(8-10)18-2)12-9-20-15(16-12)14-4-3-7-19-14/h3-9H,1-2H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole?
4-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 303.41 g/mol, XLogP of 4.56, 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-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2468633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).