5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol

C18H17NO2S — CID 118719702

IUPAC5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol
SMILESCOc1ccc(Cc2sc(-c3ccc(C)cc3)nc2O)cc1
InChIInChI=1S/C18H17NO2S/c1-12-3-7-14(8-4-12)18-19-17(20)16(22-18)11-13-5-9-15(21-2)10-6-13/h3-10,20H,11H2,1-2H3
InChIKeyDBOWHLIKKWWFLA-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.42
Rot. Bonds4

About 5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol

5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol (PubChem CID 118719702) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol
PubChem CID118719702
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol
SMILESCOc1ccc(Cc2sc(-c3ccc(C)cc3)nc2O)cc1
InChIInChI=1S/C18H17NO2S/c1-12-3-7-14(8-4-12)18-19-17(20)16(22-18)11-13-5-9-15(21-2)10-6-13/h3-10,20H,11H2,1-2H3
InChIKeyDBOWHLIKKWWFLA-UHFFFAOYSA-N
XLogP4.42
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol (CID 118719702) is 5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol is COc1ccc(Cc2sc(-c3ccc(C)cc3)nc2O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol?
The InChIKey is DBOWHLIKKWWFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-12-3-7-14(8-4-12)18-19-17(20)16(22-18)11-13-5-9-15(21-2)10-6-13/h3-10,20H,11H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol?
5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol has a molecular weight of 311.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 118719702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).