N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide

C15H14IN3O2S — CID 22778616

IUPACN-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1ccc(I)c(C)n1
InChIInChI=1S/C15H14IN3O2S/c1-9-11(16)7-8-13(17-9)18-15(22)19-14(20)10-5-3-4-6-12(10)21-2/h3-8H,1-2H3,(H2,17,18,19,20,22)
InChIKeyQEJIQLPVIIWGSE-UHFFFAOYSA-N
MW427.27 g/mol
LogP3.13
Rot. Bonds3

About N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide

N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide (PubChem CID 22778616) has the molecular formula C15H14IN3O2S and a molecular weight of 427.27 g/mol. Its IUPAC name is N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide
PubChem CID22778616
Molecular FormulaC15H14IN3O2S
Molecular Weight427.27 g/mol
Exact Mass426.99
IUPAC NameN-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1ccc(I)c(C)n1
InChIInChI=1S/C15H14IN3O2S/c1-9-11(16)7-8-13(17-9)18-15(22)19-14(20)10-5-3-4-6-12(10)21-2/h3-8H,1-2H3,(H2,17,18,19,20,22)
InChIKeyQEJIQLPVIIWGSE-UHFFFAOYSA-N
XLogP3.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.27
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17115038
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 17115032
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
3-ethoxy-N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 1294776
2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 4509621
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-3-methylbutanamide
CID 19629285
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
2-[(2-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945297
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1322242
2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide
CID 2959068
2-methoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4980698
2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4980684

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide?
The IUPAC name of N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide (CID 22778616) is N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide?
The canonical SMILES for N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(=S)Nc1ccc(I)c(C)n1.
What is the InChIKey of N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide?
The InChIKey is QEJIQLPVIIWGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O2S/c1-9-11(16)7-8-13(17-9)18-15(22)19-14(20)10-5-3-4-6-12(10)21-2/h3-8H,1-2H3,(H2,17,18,19,20,22).
What are the key properties of N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide?
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide has a molecular weight of 427.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide is sourced from PubChem (CID 22778616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).