4,5-bis(4-methoxyphenyl)-1,2-thiazole

C17H15NO2S — CID 44564415

IUPAC4,5-bis(4-methoxyphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2cnsc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H15NO2S/c1-19-14-7-3-12(4-8-14)16-11-18-21-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
InChIKeyCOPANKICKKUPAC-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.49
Rot. Bonds4

About 4,5-bis(4-methoxyphenyl)-1,2-thiazole

4,5-bis(4-methoxyphenyl)-1,2-thiazole (PubChem CID 44564415) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-1,2-thiazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-1,2-thiazole
PubChem CID44564415
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name4,5-bis(4-methoxyphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2cnsc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H15NO2S/c1-19-14-7-3-12(4-8-14)16-11-18-21-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
InChIKeyCOPANKICKKUPAC-UHFFFAOYSA-N
XLogP4.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-1,2-thiazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-1,2-thiazole (CID 44564415) is 4,5-bis(4-methoxyphenyl)-1,2-thiazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-1,2-thiazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-1,2-thiazole is COc1ccc(-c2cnsc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-1,2-thiazole?
The InChIKey is COPANKICKKUPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-19-14-7-3-12(4-8-14)16-11-18-21-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)-1,2-thiazole?
4,5-bis(4-methoxyphenyl)-1,2-thiazole has a molecular weight of 297.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-1,2-thiazole is sourced from PubChem (CID 44564415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).