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

C18H16N2O2S — CID 737892

IUPAC3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1
InChIInChI=1S/C18H16N2O2S/c1-12-19-17(11-23-12)13-6-8-15(9-7-13)20-18(21)14-4-3-5-16(10-14)22-2/h3-11H,1-2H3,(H,20,21)
InChIKeyBWVMZRIJTWAOIF-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.38
Rot. Bonds4

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

3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 737892) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID737892
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1
InChIInChI=1S/C18H16N2O2S/c1-12-19-17(11-23-12)13-6-8-15(9-7-13)20-18(21)14-4-3-5-16(10-14)22-2/h3-11H,1-2H3,(H,20,21)
InChIKeyBWVMZRIJTWAOIF-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727275
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,5-dimethoxybenzamide
CID 28865073
3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167522
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 737892) is 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is BWVMZRIJTWAOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-19-17(11-23-12)13-6-8-15(9-7-13)20-18(21)14-4-3-5-16(10-14)22-2/h3-11H,1-2H3,(H,20,21).
What are the key properties of 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 324.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 737892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).