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

C16H12Cl2N2S — CID 57397238

IUPAC3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole
SMILESCc1ccc(Cl)cc1-c1nsc(-c2cc(Cl)ccc2C)n1
InChIInChI=1S/C16H12Cl2N2S/c1-9-3-5-11(17)7-13(9)15-19-16(21-20-15)14-8-12(18)6-4-10(14)2/h3-8H,1-2H3
InChIKeyDBTFSKDRLSUDSV-UHFFFAOYSA-N
MW335.26 g/mol
LogP5.80
Rot. Bonds2

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

3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole (PubChem CID 57397238) has the molecular formula C16H12Cl2N2S and a molecular weight of 335.26 g/mol. Its IUPAC name is 3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole
PubChem CID57397238
Molecular FormulaC16H12Cl2N2S
Molecular Weight335.26 g/mol
Exact Mass334.01
IUPAC Name3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole
SMILESCc1ccc(Cl)cc1-c1nsc(-c2cc(Cl)ccc2C)n1
InChIInChI=1S/C16H12Cl2N2S/c1-9-3-5-11(17)7-13(9)15-19-16(21-20-15)14-8-12(18)6-4-10(14)2/h3-8H,1-2H3
InChIKeyDBTFSKDRLSUDSV-UHFFFAOYSA-N
XLogP5.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.26
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole (CID 57397238) is 3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole is Cc1ccc(Cl)cc1-c1nsc(-c2cc(Cl)ccc2C)n1.
What is the InChIKey of 3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole?
The InChIKey is DBTFSKDRLSUDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2S/c1-9-3-5-11(17)7-13(9)15-19-16(21-20-15)14-8-12(18)6-4-10(14)2/h3-8H,1-2H3.
What are the key properties of 3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole?
3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole has a molecular weight of 335.26 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 57397238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).