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

C17H15NOS — CID 8965022

IUPAC2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
SMILESCOc1ccccc1-c1nc(C)c(-c2ccccc2)s1
InChIInChI=1S/C17H15NOS/c1-12-16(13-8-4-3-5-9-13)20-17(18-12)14-10-6-7-11-15(14)19-2/h3-11H,1-2H3
InChIKeyKFLWDPJGTGTTOB-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.79
Rot. Bonds3

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

2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole (PubChem CID 8965022) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
PubChem CID8965022
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
SMILESCOc1ccccc1-c1nc(C)c(-c2ccccc2)s1
InChIInChI=1S/C17H15NOS/c1-12-16(13-8-4-3-5-9-13)20-17(18-12)14-10-6-7-11-15(14)19-2/h3-11H,1-2H3
InChIKeyKFLWDPJGTGTTOB-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 2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole?
The IUPAC name of 2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole (CID 8965022) is 2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole is COc1ccccc1-c1nc(C)c(-c2ccccc2)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole?
The InChIKey is KFLWDPJGTGTTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-12-16(13-8-4-3-5-9-13)20-17(18-12)14-10-6-7-11-15(14)19-2/h3-11H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole?
2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-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 2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole is sourced from PubChem (CID 8965022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).