5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C17H14BrN3OS — CID 8838910

IUPAC5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)c3cncc(Br)c3)n2)c1
InChIInChI=1S/C17H14BrN3OS/c1-10-3-4-11(2)14(5-10)15-9-23-17(20-15)21-16(22)12-6-13(18)8-19-7-12/h3-9H,1-2H3,(H,20,21,22)
InChIKeyABCLWOWUAXYIIZ-UHFFFAOYSA-N
MW388.29 g/mol
LogP4.84
Rot. Bonds3

About 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 8838910) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID8838910
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC Name5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)c3cncc(Br)c3)n2)c1
InChIInChI=1S/C17H14BrN3OS/c1-10-3-4-11(2)14(5-10)15-9-23-17(20-15)21-16(22)12-6-13(18)8-19-7-12/h3-9H,1-2H3,(H,20,21,22)
InChIKeyABCLWOWUAXYIIZ-UHFFFAOYSA-N
XLogP4.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-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-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
5-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2520885
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2330634
5-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 3998198
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 3331893
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196976
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethoxybenzamide
CID 8838918
5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 8838910) is 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is Cc1ccc(C)c(-c2csc(NC(=O)c3cncc(Br)c3)n2)c1.
What is the InChIKey of 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is ABCLWOWUAXYIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c1-10-3-4-11(2)14(5-10)15-9-23-17(20-15)21-16(22)12-6-13(18)8-19-7-12/h3-9H,1-2H3,(H,20,21,22).
What are the key properties of 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 388.29 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 8838910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).