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

C11H9BrN2OS — CID 110859671

IUPACN-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2OS/c1-7-10(13-6-16-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15)
InChIKeyYLIJYFZJAQSFRR-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.47
Rot. Bonds2

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

N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110859671) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID110859671
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC NameN-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2OS/c1-7-10(13-6-16-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15)
InChIKeyYLIJYFZJAQSFRR-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110858632
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110857431
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166326972
N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859670
5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110847845
5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736447
2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
CID 165118178
N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 23644854
N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 127033434

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide (CID 110859671) is N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1scnc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is YLIJYFZJAQSFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-7-10(13-6-16-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15).
What are the key properties of N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 297.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110859671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).