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

C11H9BrN2OS — CID 84576868

IUPACN-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Br)c2)ns1
InChIInChI=1S/C11H9BrN2OS/c1-7-5-10(14-16-7)11(15)13-9-4-2-3-8(12)6-9/h2-6H,1H3,(H,13,15)
InChIKeyPWWJDHGAUBXRKT-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.47
Rot. Bonds2

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

N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 84576868) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID84576868
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC NameN-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Br)c2)ns1
InChIInChI=1S/C11H9BrN2OS/c1-7-5-10(14-16-7)11(15)13-9-4-2-3-8(12)6-9/h2-6H,1H3,(H,13,15)
InChIKeyPWWJDHGAUBXRKT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
N-(3-bromophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948505
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179798
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide (CID 84576868) is N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Br)c2)ns1.
What is the InChIKey of N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is PWWJDHGAUBXRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-7-5-10(14-16-7)11(15)13-9-4-2-3-8(12)6-9/h2-6H,1H3,(H,13,15).
What are the key properties of N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide?
N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-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)-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 84576868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).