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

C9H6Cl2N2S — CID 81325135

IUPAC2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole
SMILESCc1cc(Cl)cc(-c2nnc(Cl)s2)c1
InChIInChI=1S/C9H6Cl2N2S/c1-5-2-6(4-7(10)3-5)8-12-13-9(11)14-8/h2-4H,1H3
InChIKeyGFHLLOIMHSYZCX-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.82
Rot. Bonds1

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

2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole (PubChem CID 81325135) has the molecular formula C9H6Cl2N2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole
PubChem CID81325135
Molecular FormulaC9H6Cl2N2S
Molecular Weight245.13 g/mol
Exact Mass243.96
IUPAC Name2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole
SMILESCc1cc(Cl)cc(-c2nnc(Cl)s2)c1
InChIInChI=1S/C9H6Cl2N2S/c1-5-2-6(4-7(10)3-5)8-12-13-9(11)14-8/h2-4H,1H3
InChIKeyGFHLLOIMHSYZCX-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole (CID 81325135) is 2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole is Cc1cc(Cl)cc(-c2nnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole?
The InChIKey is GFHLLOIMHSYZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2S/c1-5-2-6(4-7(10)3-5)8-12-13-9(11)14-8/h2-4H,1H3.
What are the key properties of 2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole?
2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole has a molecular weight of 245.13 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 81325135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).