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

C18H16N2OS — CID 110372097

IUPACN-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C18H16N2OS/c1-20(13-14-6-3-2-4-7-14)18(21)16-9-5-8-15(12-16)17-19-10-11-22-17/h2-12H,13H2,1H3
InChIKeyWBKDIMYSTAZUGB-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.08
Rot. Bonds4

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

N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide (PubChem CID 110372097) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
PubChem CID110372097
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C18H16N2OS/c1-20(13-14-6-3-2-4-7-14)18(21)16-9-5-8-15(12-16)17-19-10-11-22-17/h2-12H,13H2,1H3
InChIKeyWBKDIMYSTAZUGB-UHFFFAOYSA-N
XLogP4.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide
CID 134803411
N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide
CID 118780626
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773
N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131635
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 87035840
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
2,2-diphenyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 54774183

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide (CID 110372097) is N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide is CN(Cc1ccccc1)C(=O)c1cccc(-c2nccs2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide?
The InChIKey is WBKDIMYSTAZUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-20(13-14-6-3-2-4-7-14)18(21)16-9-5-8-15(12-16)17-19-10-11-22-17/h2-12H,13H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide?
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide has a molecular weight of 308.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 110372097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).