5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole

C9H6ClIN2S — CID 102943546

IUPAC5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
SMILESCc1cc(-c2nc(I)ns2)ccc1Cl
InChIInChI=1S/C9H6ClIN2S/c1-5-4-6(2-3-7(5)10)8-12-9(11)13-14-8/h2-4H,1H3
InChIKeyXAPLAJIXNWJHRP-UHFFFAOYSA-N
MW336.59 g/mol
LogP3.77
Rot. Bonds1

About 5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole

5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 102943546) has the molecular formula C9H6ClIN2S and a molecular weight of 336.59 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
PubChem CID102943546
Molecular FormulaC9H6ClIN2S
Molecular Weight336.59 g/mol
Exact Mass335.90
IUPAC Name5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
SMILESCc1cc(-c2nc(I)ns2)ccc1Cl
InChIInChI=1S/C9H6ClIN2S/c1-5-4-6(2-3-7(5)10)8-12-9(11)13-14-8/h2-4H,1H3
InChIKeyXAPLAJIXNWJHRP-UHFFFAOYSA-N
XLogP3.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943754
5-(2-chloro-5-fluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 130678272
3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole
CID 102943503
5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid
CID 22229287
5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine
CID 107994568
3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole
CID 103130050
2-[5-(4-chloro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360112
methyl 5-amino-2-(4-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199703
5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole
CID 670934
2-bromo-4-(4-chloro-3-methylphenyl)-5-propan-2-yl-1,3-thiazole
CID 167558473
5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3613182
1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene
CID 134623247

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole (CID 102943546) is 5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole is Cc1cc(-c2nc(I)ns2)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is XAPLAJIXNWJHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2S/c1-5-4-6(2-3-7(5)10)8-12-9(11)13-14-8/h2-4H,1H3.
What are the key properties of 5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole?
5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 336.59 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102943546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).