5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole

C18H17NOS — CID 118719704

IUPAC5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2sc(-c3ccc(C)cc3)nc2C)cc1
InChIInChI=1S/C18H17NOS/c1-12-4-6-15(7-5-12)18-19-13(2)17(21-18)14-8-10-16(20-3)11-9-14/h4-11H,1-3H3
InChIKeyPWZZZGYUAVPIFD-UHFFFAOYSA-N
MW295.41 g/mol
LogP5.10
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole

5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 118719704) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole
PubChem CID118719704
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2sc(-c3ccc(C)cc3)nc2C)cc1
InChIInChI=1S/C18H17NOS/c1-12-4-6-15(7-5-12)18-19-13(2)17(21-18)14-8-10-16(20-3)11-9-14/h4-11H,1-3H3
InChIKeyPWZZZGYUAVPIFD-UHFFFAOYSA-N
XLogP5.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.41
LogP ≤ 55.10
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-methyl-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole (CID 118719704) is 5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole is COc1ccc(-c2sc(-c3ccc(C)cc3)nc2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is PWZZZGYUAVPIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-12-4-6-15(7-5-12)18-19-13(2)17(21-18)14-8-10-16(20-3)11-9-14/h4-11H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole?
5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 295.41 g/mol, XLogP of 5.10, 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-methyl-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 118719704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).