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

C11H9BrN2OS — CID 110862859

IUPACN-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(Br)c2)s1
InChIInChI=1S/C11H9BrN2OS/c1-7-13-6-10(16-7)11(15)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H,14,15)
InChIKeyQWNRJUOKTZYECF-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.47
Rot. Bonds2

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

N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110862859) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID110862859
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC NameN-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(Br)c2)s1
InChIInChI=1S/C11H9BrN2OS/c1-7-13-6-10(16-7)11(15)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H,14,15)
InChIKeyQWNRJUOKTZYECF-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

2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110861936
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84576868
N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103753515

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 110862859) is N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2cccc(Br)c2)s1.
What is the InChIKey of N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QWNRJUOKTZYECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-7-13-6-10(16-7)11(15)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H,14,15).
What are the key properties of N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-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-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110862859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).