2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide

C13H9BrClN3OS — CID 1335961

IUPAC2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cn1)c1ccccc1Br
InChIInChI=1S/C13H9BrClN3OS/c14-10-4-2-1-3-9(10)12(19)18-13(20)17-11-6-5-8(15)7-16-11/h1-7H,(H2,16,17,18,19,20)
InChIKeyVNWZFJSKMFLZFF-UHFFFAOYSA-N
MW370.66 g/mol
LogP3.62
Rot. Bonds2

About 2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide

2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide (PubChem CID 1335961) has the molecular formula C13H9BrClN3OS and a molecular weight of 370.66 g/mol. Its IUPAC name is 2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
PubChem CID1335961
Molecular FormulaC13H9BrClN3OS
Molecular Weight370.66 g/mol
Exact Mass368.93
IUPAC Name2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cn1)c1ccccc1Br
InChIInChI=1S/C13H9BrClN3OS/c14-10-4-2-1-3-9(10)12(19)18-13(20)17-11-6-5-8(15)7-16-11/h1-7H,(H2,16,17,18,19,20)
InChIKeyVNWZFJSKMFLZFF-UHFFFAOYSA-N
XLogP3.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.66
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
CID 881777
2-bromo-N-[(6-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 54788233
N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 6457327
2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 4509621
N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048122
2-bromo-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 2278796
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
2-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4636694
2-bromo-N-[(4-chloro-2-nitrophenyl)carbamothioyl]benzamide
CID 4948421
2-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]benzamide
CID 1343938
1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea
CID 108898055

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide?
The IUPAC name of 2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide (CID 1335961) is 2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide?
The canonical SMILES for 2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide?
The InChIKey is VNWZFJSKMFLZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3OS/c14-10-4-2-1-3-9(10)12(19)18-13(20)17-11-6-5-8(15)7-16-11/h1-7H,(H2,16,17,18,19,20).
What are the key properties of 2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide?
2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide has a molecular weight of 370.66 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide is sourced from PubChem (CID 1335961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).