N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

C18H16N2OS — CID 569504

IUPACN-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C)c(-c2cnc(NC(=O)c3ccccc3)s2)c1
InChIInChI=1S/C18H16N2OS/c1-12-8-9-13(2)15(10-12)16-11-19-18(22-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyHYTNUBVGJUDFHZ-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.68
Rot. Bonds3

About N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 569504) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID569504
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C)c(-c2cnc(NC(=O)c3ccccc3)s2)c1
InChIInChI=1S/C18H16N2OS/c1-12-8-9-13(2)15(10-12)16-11-19-18(22-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyHYTNUBVGJUDFHZ-UHFFFAOYSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116812054
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 123487354
2-benzamido-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35935216
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 47028163
N-(5-ethenyl-1,3-thiazol-2-yl)benzamide
CID 123927377
N-(5-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 22474590
5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid
CID 127025199
N-[1-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4842765
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 569504) is N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(C)c(-c2cnc(NC(=O)c3ccccc3)s2)c1.
What is the InChIKey of N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is HYTNUBVGJUDFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-12-8-9-13(2)15(10-12)16-11-19-18(22-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 308.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 569504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).