2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide

C12H11BrFN3OS — CID 154805238

IUPAC2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cc(Br)ccc1F)c1nc(C(N)=O)cs1
InChIInChI=1S/C12H11BrFN3OS/c1-17(12-16-10(6-19-12)11(15)18)5-7-4-8(13)2-3-9(7)14/h2-4,6H,5H2,1H3,(H2,15,18)
InChIKeyCKGXIYGUOJQBDF-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.78
Rot. Bonds4

About 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide

2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide (PubChem CID 154805238) has the molecular formula C12H11BrFN3OS and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide
PubChem CID154805238
Molecular FormulaC12H11BrFN3OS
Molecular Weight344.21 g/mol
Exact Mass342.98
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cc(Br)ccc1F)c1nc(C(N)=O)cs1
InChIInChI=1S/C12H11BrFN3OS/c1-17(12-16-10(6-19-12)11(15)18)5-7-4-8(13)2-3-9(7)14/h2-4,6H,5H2,1H3,(H2,15,18)
InChIKeyCKGXIYGUOJQBDF-UHFFFAOYSA-N
XLogP2.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
2-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,6-dimethylpyridine-2,5-diamine
CID 115147720
6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 79098714
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-carbamoylpropanamide
CID 47085281
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylbutanamide
CID 115154295
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180686
N-[(5-bromo-2-fluorophenyl)methyl]-N,6-dimethylpyrazin-2-amine
CID 133469076
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154702
4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 55580589
2-N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125806
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide (CID 154805238) is 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide is CN(Cc1cc(Br)ccc1F)c1nc(C(N)=O)cs1.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is CKGXIYGUOJQBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3OS/c1-17(12-16-10(6-19-12)11(15)18)5-7-4-8(13)2-3-9(7)14/h2-4,6H,5H2,1H3,(H2,15,18).
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide?
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 154805238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).