2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide

C14H10Cl2IN3OS — CID 21216561

IUPAC2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide
SMILESCc1cc(I)cnc1NC(=S)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2IN3OS/c1-7-5-8(17)6-18-12(7)19-14(22)20-13(21)9-3-2-4-10(15)11(9)16/h2-6H,1H3,(H2,18,19,20,21,22)
InChIKeyHUZVZSRQSHIZNV-UHFFFAOYSA-N
MW466.13 g/mol
LogP4.43
Rot. Bonds2

About 2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide

2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide (PubChem CID 21216561) has the molecular formula C14H10Cl2IN3OS and a molecular weight of 466.13 g/mol. Its IUPAC name is 2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide
PubChem CID21216561
Molecular FormulaC14H10Cl2IN3OS
Molecular Weight466.13 g/mol
Exact Mass464.90
IUPAC Name2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide
SMILESCc1cc(I)cnc1NC(=S)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2IN3OS/c1-7-5-8(17)6-18-12(7)19-14(22)20-13(21)9-3-2-4-10(15)11(9)16/h2-6H,1H3,(H2,18,19,20,21,22)
InChIKeyHUZVZSRQSHIZNV-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.13
LogP ≤ 54.43
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'}

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Related Compounds

2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide
CID 21216463
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 21216550
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 21216515
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-3-methoxybenzamide
CID 21216525
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-2-methylpropanamide
CID 21216507
N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 4681073
(E)-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]-3-phenylprop-2-enamide
CID 21216570
2-chloro-5-[(2,3-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 4506898
2-chloro-5-iodo-N-[(5-iodo-2-pyridinyl)carbamothioyl]benzamide
CID 4504034
2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 1048232
N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide
CID 21216437
2-chloro-N-[(2-ethyl-4-iodophenyl)carbamothioyl]benzamide
CID 1395361

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide (CID 21216561) is 2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide is Cc1cc(I)cnc1NC(=S)NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide?
The InChIKey is HUZVZSRQSHIZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2IN3OS/c1-7-5-8(17)6-18-12(7)19-14(22)20-13(21)9-3-2-4-10(15)11(9)16/h2-6H,1H3,(H2,18,19,20,21,22).
What are the key properties of 2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide?
2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide has a molecular weight of 466.13 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(5-iodo-3-methyl-2-pyridinyl)carbamothioyl]benzamide is sourced from PubChem (CID 21216561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).