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

C19H18N2OS — CID 1331233

IUPACN-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C19H18N2OS/c1-3-14-6-4-5-7-17(14)21-19(22)16-10-8-15(9-11-16)18-12-23-13(2)20-18/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyNAGTUWSTPNZKMT-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.93
Rot. Bonds4

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

N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 1331233) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID1331233
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C19H18N2OS/c1-3-14-6-4-5-7-17(14)21-19(22)16-10-8-15(9-11-16)18-12-23-13(2)20-18/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyNAGTUWSTPNZKMT-UHFFFAOYSA-N
XLogP4.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 1331233) is N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is CCc1ccccc1NC(=O)c1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is NAGTUWSTPNZKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-3-14-6-4-5-7-17(14)21-19(22)16-10-8-15(9-11-16)18-12-23-13(2)20-18/h4-12H,3H2,1-2H3,(H,21,22).
What are the key properties of N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 322.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 1331233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).