2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide

C24H19BrN2OS — CID 108761194

IUPAC2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccccc4Br)cc3)n2)cc1
InChIInChI=1S/C24H19BrN2OS/c1-16-6-10-18(11-7-16)22-15-29-24(27-22)19-12-8-17(9-13-19)14-26-23(28)20-4-2-3-5-21(20)25/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyGXUSUKPMFPJXJH-UHFFFAOYSA-N
MW463.40 g/mol
LogP6.48
Rot. Bonds5

About 2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide

2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide (PubChem CID 108761194) has the molecular formula C24H19BrN2OS and a molecular weight of 463.40 g/mol. Its IUPAC name is 2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
PubChem CID108761194
Molecular FormulaC24H19BrN2OS
Molecular Weight463.40 g/mol
Exact Mass462.04
IUPAC Name2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccccc4Br)cc3)n2)cc1
InChIInChI=1S/C24H19BrN2OS/c1-16-6-10-18(11-7-16)22-15-29-24(27-22)19-12-8-17(9-13-19)14-26-23(28)20-4-2-3-5-21(20)25/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyGXUSUKPMFPJXJH-UHFFFAOYSA-N
XLogP6.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.40
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738396
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774149
3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738384
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
1,1-diethyl-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108738416
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pentanamide
CID 108738364
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide (CID 108761194) is 2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide is Cc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccccc4Br)cc3)n2)cc1.
What is the InChIKey of 2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is GXUSUKPMFPJXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2OS/c1-16-6-10-18(11-7-16)22-15-29-24(27-22)19-12-8-17(9-13-19)14-26-23(28)20-4-2-3-5-21(20)25/h2-13,15H,14H2,1H3,(H,26,28).
What are the key properties of 2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 463.40 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 108761194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).