3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide

C10H8BrN3OS — CID 60789785

IUPAC3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
SMILESNc1cccc(C(=O)Nc2ncc(Br)s2)c1
InChIInChI=1S/C10H8BrN3OS/c11-8-5-13-10(16-8)14-9(15)6-2-1-3-7(12)4-6/h1-5H,12H2,(H,13,14,15)
InChIKeyKVAAPEOPSHLQGR-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.74
Rot. Bonds2

About 3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide

3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide (PubChem CID 60789785) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
PubChem CID60789785
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
SMILESNc1cccc(C(=O)Nc2ncc(Br)s2)c1
InChIInChI=1S/C10H8BrN3OS/c11-8-5-13-10(16-8)14-9(15)6-2-1-3-7(12)4-6/h1-5H,12H2,(H,13,14,15)
InChIKeyKVAAPEOPSHLQGR-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-3-hydroxybenzamide
CID 60654759
1-(3-aminophenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea
CID 22559610
N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide
CID 63749143
6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66462491
N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62181432
2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide
CID 62160793
2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 110474421
N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 60784493
N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 60654890
3-amino-N-(thiadiazol-5-yl)benzamide
CID 114911458
[4-[2-amino-4-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl]sulfanylphenyl]carbamic acid
CID 141181398
N-(5-bromo-1,3-thiazol-2-yl)furan-2-carboxamide
CID 60655632

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide (CID 60789785) is 3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide is Nc1cccc(C(=O)Nc2ncc(Br)s2)c1.
What is the InChIKey of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide?
The InChIKey is KVAAPEOPSHLQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c11-8-5-13-10(16-8)14-9(15)6-2-1-3-7(12)4-6/h1-5H,12H2,(H,13,14,15).
What are the key properties of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide?
3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide has a molecular weight of 298.17 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 60789785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).