5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole

C9H6Cl2N2S — CID 15133747

IUPAC5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole
SMILESClCc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C9H6Cl2N2S/c10-5-8-12-9(13-14-8)6-3-1-2-4-7(6)11/h1-4H,5H2
InChIKeyVVCPQJRGWWBETB-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.60
Rot. Bonds2

About 5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole

5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole (PubChem CID 15133747) has the molecular formula C9H6Cl2N2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole
PubChem CID15133747
Molecular FormulaC9H6Cl2N2S
Molecular Weight245.13 g/mol
Exact Mass243.96
IUPAC Name5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole
SMILESClCc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C9H6Cl2N2S/c10-5-8-12-9(13-14-8)6-3-1-2-4-7(6)11/h1-4H,5H2
InChIKeyVVCPQJRGWWBETB-UHFFFAOYSA-N
XLogP3.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-benzyl-4-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]methylamino]-4-oxobutanoic acid
CID 67415047
2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine
CID 174452686
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
1-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-3-(2-hydroxyethyl)urea
CID 75505433
ethyl N-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfonyl]methanimidate
CID 54242620
3-benzyl-4-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-4-oxobutanoic acid
CID 67209556
3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole
CID 58430672
2-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 83868891
4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
CID 80550476
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 22229305
2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 4576947
1-chloro-N-(chloromethyl)methanamine;2-(2-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 126707772

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole (CID 15133747) is 5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole is ClCc1nc(-c2ccccc2Cl)ns1.
What is the InChIKey of 5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole?
The InChIKey is VVCPQJRGWWBETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2S/c10-5-8-12-9(13-14-8)6-3-1-2-4-7(6)11/h1-4H,5H2.
What are the key properties of 5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole?
5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole has a molecular weight of 245.13 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 15133747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).