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

C21H21ClN2OS — CID 141313770

IUPACN-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide
SMILESCC(C)(C)c1nc(NC(=O)c2ccccc2Cl)sc1Cc1ccccc1
InChIInChI=1S/C21H21ClN2OS/c1-21(2,3)18-17(13-14-9-5-4-6-10-14)26-20(23-18)24-19(25)15-11-7-8-12-16(15)22/h4-12H,13H2,1-3H3,(H,23,24,25)
InChIKeyWDSMIFWIQIDPIM-UHFFFAOYSA-N
MW384.93 g/mol
LogP5.94
Rot. Bonds4

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

N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide (PubChem CID 141313770) has the molecular formula C21H21ClN2OS and a molecular weight of 384.93 g/mol. Its IUPAC name is N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide
PubChem CID141313770
Molecular FormulaC21H21ClN2OS
Molecular Weight384.93 g/mol
Exact Mass384.11
IUPAC NameN-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide
SMILESCC(C)(C)c1nc(NC(=O)c2ccccc2Cl)sc1Cc1ccccc1
InChIInChI=1S/C21H21ClN2OS/c1-21(2,3)18-17(13-14-9-5-4-6-10-14)26-20(23-18)24-19(25)15-11-7-8-12-16(15)22/h4-12H,13H2,1-3H3,(H,23,24,25)
InChIKeyWDSMIFWIQIDPIM-UHFFFAOYSA-N
XLogP5.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.93
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-chlorobenzamide
CID 71617406
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzamide;hydrobromide
CID 141313772
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-3,5-dinitrobenzamide
CID 141313779
N-[4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide
CID 141338934
2-chloro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836464
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)formamide
CID 174704044
N-[4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
CID 71617410
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 57329835
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide?
The IUPAC name of N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide (CID 141313770) is N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide?
The canonical SMILES for N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide is CC(C)(C)c1nc(NC(=O)c2ccccc2Cl)sc1Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide?
The InChIKey is WDSMIFWIQIDPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2OS/c1-21(2,3)18-17(13-14-9-5-4-6-10-14)26-20(23-18)24-19(25)15-11-7-8-12-16(15)22/h4-12H,13H2,1-3H3,(H,23,24,25).
What are the key properties of N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide?
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide has a molecular weight of 384.93 g/mol, XLogP of 5.94, 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-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide is sourced from PubChem (CID 141313770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).