2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide

C18H16N2O2S — CID 713120

IUPAC2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(OCc2ccccc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H16N2O2S/c1-13-6-8-15(9-7-13)22-12-14-4-2-3-5-16(14)17(21)20-18-19-10-11-23-18/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyVCHOFVYWPRWTPH-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.28
Rot. Bonds5

About 2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide

2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 713120) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID713120
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(OCc2ccccc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H16N2O2S/c1-13-6-8-15(9-7-13)22-12-14-4-2-3-5-16(14)17(21)20-18-19-10-11-23-18/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyVCHOFVYWPRWTPH-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide (CID 713120) is 2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(OCc2ccccc2C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is VCHOFVYWPRWTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-13-6-8-15(9-7-13)22-12-14-4-2-3-5-16(14)17(21)20-18-19-10-11-23-18/h2-11H,12H2,1H3,(H,19,20,21).
What are the key properties of 2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide?
2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 324.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 713120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).