N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide

C19H18N2OS — CID 43837130

IUPACN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C19H18N2OS/c1-13-8-10-16(11-9-13)18(22)21-19-20-14(2)17(23-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyFSRPZBSIRZCDAX-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.60
Rot. Bonds4

About N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide (PubChem CID 43837130) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
PubChem CID43837130
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C19H18N2OS/c1-13-8-10-16(11-9-13)18(22)21-19-20-14(2)17(23-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyFSRPZBSIRZCDAX-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 43837141
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 43836440
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836518
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82058794

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide (CID 43837130) is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(C)c(Cc3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide?
The InChIKey is FSRPZBSIRZCDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-8-10-16(11-9-13)18(22)21-19-20-14(2)17(23-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,21,22).
What are the key properties of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide?
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide has a molecular weight of 322.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 43837130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).