N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

C18H15BrN2O2S — CID 28935655

IUPACN-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccccc2)sc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O2S/c1-12-17(18(22)21-14-9-7-13(19)8-10-14)24-16(20-12)11-23-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeyGJDYLXYDJXOSCT-UHFFFAOYSA-N
MW403.30 g/mol
LogP5.05
Rot. Bonds5

About N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide (PubChem CID 28935655) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
PubChem CID28935655
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC NameN-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccccc2)sc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O2S/c1-12-17(18(22)21-14-9-7-13(19)8-10-14)24-16(20-12)11-23-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeyGJDYLXYDJXOSCT-UHFFFAOYSA-N
XLogP5.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.30
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741122
N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18593832
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110387303
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182
2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35270851
4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 28936138

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide (CID 28935655) is N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccccc2)sc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GJDYLXYDJXOSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c1-12-17(18(22)21-14-9-7-13(19)8-10-14)24-16(20-12)11-23-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 403.30 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 28935655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).