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

C18H15ClN2OS — CID 43836531

IUPACN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccccc1
InChIInChI=1S/C18H15ClN2OS/c1-12-16(11-13-5-3-2-4-6-13)23-18(20-12)21-17(22)14-7-9-15(19)10-8-14/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyOYKKTGUZYUWXBV-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.95
Rot. Bonds4

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

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide (PubChem CID 43836531) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
PubChem CID43836531
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccccc1
InChIInChI=1S/C18H15ClN2OS/c1-12-16(11-13-5-3-2-4-6-13)23-18(20-12)21-17(22)14-7-9-15(19)10-8-14/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyOYKKTGUZYUWXBV-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzamide;hydrobromide
CID 141313772
4-chloro-N-[4-methyl-5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 43836533
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
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-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 43837141
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
The IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide (CID 43836531) is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
The canonical SMILES for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide is Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
The InChIKey is OYKKTGUZYUWXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12-16(11-13-5-3-2-4-6-13)23-18(20-12)21-17(22)14-7-9-15(19)10-8-14/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide?
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide has a molecular weight of 342.85 g/mol, XLogP of 4.95, 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-chlorobenzamide is sourced from PubChem (CID 43836531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).