N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C18H16N2O2S — CID 891670

IUPACN-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-19-17(11-23-12)13-3-5-14(6-4-13)18(21)20-15-7-9-16(22-2)10-8-15/h3-11H,1-2H3,(H,20,21)
InChIKeyOCPNFFSUIXBUFH-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.38
Rot. Bonds4

About N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 891670) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID891670
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-19-17(11-23-12)13-3-5-14(6-4-13)18(21)20-15-7-9-16(22-2)10-8-15/h3-11H,1-2H3,(H,20,21)
InChIKeyOCPNFFSUIXBUFH-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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 891670) is N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is COc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is OCPNFFSUIXBUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-19-17(11-23-12)13-3-5-14(6-4-13)18(21)20-15-7-9-16(22-2)10-8-15/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)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 N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 891670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).