2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide

C11H7BrFN3O2S — CID 78883316

IUPAC2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)c2cc(F)cc(Br)c2)s1
InChIInChI=1S/C11H7BrFN3O2S/c12-6-1-5(2-7(13)3-6)10(18)16-11-15-4-8(19-11)9(14)17/h1-4H,(H2,14,17)(H,15,16,18)
InChIKeyHYHNPDGRVSYROU-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.40
Rot. Bonds3

About 2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide

2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 78883316) has the molecular formula C11H7BrFN3O2S and a molecular weight of 344.17 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID78883316
Molecular FormulaC11H7BrFN3O2S
Molecular Weight344.17 g/mol
Exact Mass342.94
IUPAC Name2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)c2cc(F)cc(Br)c2)s1
InChIInChI=1S/C11H7BrFN3O2S/c12-6-1-5(2-7(13)3-6)10(18)16-11-15-4-8(19-11)9(14)17/h1-4H,(H2,14,17)(H,15,16,18)
InChIKeyHYHNPDGRVSYROU-UHFFFAOYSA-N
XLogP2.40
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 78852049
3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
2-(pyridine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 22262890
2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78884843
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide
CID 87904395
2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 78828454
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
3-[(3-bromo-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262243
2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide
CID 78884701
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78847761

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide (CID 78883316) is 2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)c2cc(F)cc(Br)c2)s1.
What is the InChIKey of 2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is HYHNPDGRVSYROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O2S/c12-6-1-5(2-7(13)3-6)10(18)16-11-15-4-8(19-11)9(14)17/h1-4H,(H2,14,17)(H,15,16,18).
What are the key properties of 2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide?
2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 344.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78883316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).