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

C21H18IN3OS — CID 17115032

IUPACN-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
SMILESCc1nc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)ccc1I
InChIInChI=1S/C21H18IN3OS/c1-14-17(22)12-13-18(23-14)24-21(27)25-20(26)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,1H3,(H2,23,24,25,26,27)
InChIKeyXSULCZVPLHYALS-UHFFFAOYSA-N
MW487.37 g/mol
LogP4.64
Rot. Bonds4

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

N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide (PubChem CID 17115032) has the molecular formula C21H18IN3OS and a molecular weight of 487.37 g/mol. Its IUPAC name is N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
PubChem CID17115032
Molecular FormulaC21H18IN3OS
Molecular Weight487.37 g/mol
Exact Mass487.02
IUPAC NameN-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
SMILESCc1nc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)ccc1I
InChIInChI=1S/C21H18IN3OS/c1-14-17(22)12-13-18(23-14)24-21(27)25-20(26)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,1H3,(H2,23,24,25,26,27)
InChIKeyXSULCZVPLHYALS-UHFFFAOYSA-N
XLogP4.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.37
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 1224409
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-3-methylbutanamide
CID 19629285
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2-methoxybenzamide
CID 22778616
2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide
CID 920575
N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048122
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17115038
N-(5-iodo-6-methyl-2-pyridinyl)-2-phenylacetamide
CID 1017624
2-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 4504563
(2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide
CID 124608819
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1345142
N-[(4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048111

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide (CID 17115032) is N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide is Cc1nc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)ccc1I.
What is the InChIKey of N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
The InChIKey is XSULCZVPLHYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18IN3OS/c1-14-17(22)12-13-18(23-14)24-21(27)25-20(26)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,1H3,(H2,23,24,25,26,27).
What are the key properties of N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide has a molecular weight of 487.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide is sourced from PubChem (CID 17115032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).