N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C18H12BrF3N2OS — CID 30345026

IUPACN-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C18H12BrF3N2OS/c1-10-15(16(25)24-14-5-3-2-4-13(14)19)26-17(23-10)11-6-8-12(9-7-11)18(20,21)22/h2-9H,1H3,(H,24,25)
InChIKeyDFFXAJTVBQJQLG-UHFFFAOYSA-N
MW441.27 g/mol
LogP6.15
Rot. Bonds3

About N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 30345026) has the molecular formula C18H12BrF3N2OS and a molecular weight of 441.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID30345026
Molecular FormulaC18H12BrF3N2OS
Molecular Weight441.27 g/mol
Exact Mass439.98
IUPAC NameN-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C18H12BrF3N2OS/c1-10-15(16(25)24-14-5-3-2-4-13(14)19)26-17(23-10)11-6-8-12(9-7-11)18(20,21)22/h2-9H,1H3,(H,24,25)
InChIKeyDFFXAJTVBQJQLG-UHFFFAOYSA-N
XLogP6.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.27
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzamido-2-methylphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899419
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
N-(2-bromo-4-methylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27667984
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 31861302
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801094
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24681672
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4076042
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675116
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 30345026) is N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DFFXAJTVBQJQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2OS/c1-10-15(16(25)24-14-5-3-2-4-13(14)19)26-17(23-10)11-6-8-12(9-7-11)18(20,21)22/h2-9H,1H3,(H,24,25).
What are the key properties of N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 441.27 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30345026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).