2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide

C14H11Br2N3OS — CID 4509621

IUPAC2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide
SMILESCc1nc(NC(=S)NC(=O)c2ccccc2Br)ccc1Br
InChIInChI=1S/C14H11Br2N3OS/c1-8-10(15)6-7-12(17-8)18-14(21)19-13(20)9-4-2-3-5-11(9)16/h2-7H,1H3,(H2,17,18,19,20,21)
InChIKeyCXANFILKHDXNGD-UHFFFAOYSA-N
MW429.14 g/mol
LogP4.04
Rot. Bonds2

About 2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide

2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide (PubChem CID 4509621) has the molecular formula C14H11Br2N3OS and a molecular weight of 429.14 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide
PubChem CID4509621
Molecular FormulaC14H11Br2N3OS
Molecular Weight429.14 g/mol
Exact Mass426.90
IUPAC Name2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide
SMILESCc1nc(NC(=S)NC(=O)c2ccccc2Br)ccc1Br
InChIInChI=1S/C14H11Br2N3OS/c1-8-10(15)6-7-12(17-8)18-14(21)19-13(20)9-4-2-3-5-11(9)16/h2-7H,1H3,(H2,17,18,19,20,21)
InChIKeyCXANFILKHDXNGD-UHFFFAOYSA-N
XLogP4.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.14
LogP ≤ 54.04
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-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]benzamide
CID 1343938
2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
CID 1335961
N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide
CID 17047093
N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-3-chloro-4-methoxybenzamide
CID 1289437
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide
CID 22778616
3-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-4-ethoxybenzamide
CID 4509618
2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 4577510
2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide
CID 1016508
2-bromo-N-[(6-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 54788233
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
2-bromo-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094028
N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide
CID 978368

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide?
The IUPAC name of 2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide (CID 4509621) is 2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide?
The canonical SMILES for 2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide is Cc1nc(NC(=S)NC(=O)c2ccccc2Br)ccc1Br.
What is the InChIKey of 2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide?
The InChIKey is CXANFILKHDXNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3OS/c1-8-10(15)6-7-12(17-8)18-14(21)19-13(20)9-4-2-3-5-11(9)16/h2-7H,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide?
2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide has a molecular weight of 429.14 g/mol, XLogP of 4.04, 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-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide is sourced from PubChem (CID 4509621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).