N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide

C11H9ClIN3OS — CID 103614219

IUPACN-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H9ClIN3OS/c1-2-8-10(18-16-15-8)11(17)14-9-4-3-6(13)5-7(9)12/h3-5H,2H2,1H3,(H,14,17)
InChIKeyAIGQVVIXZATKLN-UHFFFAOYSA-N
MW393.64 g/mol
LogP3.61
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide

N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 103614219) has the molecular formula C11H9ClIN3OS and a molecular weight of 393.64 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID103614219
Molecular FormulaC11H9ClIN3OS
Molecular Weight393.64 g/mol
Exact Mass392.92
IUPAC NameN-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H9ClIN3OS/c1-2-8-10(18-16-15-8)11(17)14-9-4-3-6(13)5-7(9)12/h3-5H,2H2,1H3,(H,14,17)
InChIKeyAIGQVVIXZATKLN-UHFFFAOYSA-N
XLogP3.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.64
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid
CID 65206218
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 107301174
4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 65205156
N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206339
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-ethylthiadiazole-5-carboxamide
CID 81252115
N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49325357
4-(chloromethyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135154080
N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide
CID 79953365
N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210041
N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
2-[(4-ethylthiadiazole-5-carbonyl)amino]-4,5-difluorobenzoic acid
CID 65205703

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide (CID 103614219) is N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is AIGQVVIXZATKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN3OS/c1-2-8-10(18-16-15-8)11(17)14-9-4-3-6(13)5-7(9)12/h3-5H,2H2,1H3,(H,14,17).
What are the key properties of N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide?
N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 393.64 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 103614219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).