4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C14H8ClIN4OS — CID 55810604

IUPAC4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)c1ccc(Cl)cc1I
InChIInChI=1S/C14H8ClIN4OS/c15-8-4-5-9(10(16)7-8)12(21)18-14-20-19-13(22-14)11-3-1-2-6-17-11/h1-7H,(H,18,20,21)
InChIKeyBICGUNZQJQGVTN-UHFFFAOYSA-N
MW442.67 g/mol
LogP4.11
Rot. Bonds3

About 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55810604) has the molecular formula C14H8ClIN4OS and a molecular weight of 442.67 g/mol. Its IUPAC name is 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55810604
Molecular FormulaC14H8ClIN4OS
Molecular Weight442.67 g/mol
Exact Mass441.92
IUPAC Name4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)c1ccc(Cl)cc1I
InChIInChI=1S/C14H8ClIN4OS/c15-8-4-5-9(10(16)7-8)12(21)18-14-20-19-13(22-14)11-3-1-2-6-17-11/h1-7H,(H,18,20,21)
InChIKeyBICGUNZQJQGVTN-UHFFFAOYSA-N
XLogP4.11
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.67
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide 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

2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
(E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 55810478
2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167988705
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47857402
2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 55978522
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide
CID 47234649
2-(2-methylpropoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167890444
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 167744287
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 55810604) is 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccn2)s1)c1ccc(Cl)cc1I.
What is the InChIKey of 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is BICGUNZQJQGVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClIN4OS/c15-8-4-5-9(10(16)7-8)12(21)18-14-20-19-13(22-14)11-3-1-2-6-17-11/h1-7H,(H,18,20,21).
What are the key properties of 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 442.67 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55810604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).