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

C17H15NOS — CID 44564416

IUPAC5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2sncc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H15NOS/c1-12-3-5-13(6-4-12)16-11-18-20-17(16)14-7-9-15(19-2)10-8-14/h3-11H,1-2H3
InChIKeyKPYJYWIFJYUIBB-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.79
Rot. Bonds3

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

5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole (PubChem CID 44564416) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole
PubChem CID44564416
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2sncc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H15NOS/c1-12-3-5-13(6-4-12)16-11-18-20-17(16)14-7-9-15(19-2)10-8-14/h3-11H,1-2H3
InChIKeyKPYJYWIFJYUIBB-UHFFFAOYSA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole?
The IUPAC name of 5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole (CID 44564416) is 5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole is COc1ccc(-c2sncc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole?
The InChIKey is KPYJYWIFJYUIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-12-3-5-13(6-4-12)16-11-18-20-17(16)14-7-9-15(19-2)10-8-14/h3-11H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole?
5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole has a molecular weight of 281.38 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-thiazole is sourced from PubChem (CID 44564416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).