4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide

C16H11Cl2N3OS — CID 154799929

IUPAC4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)Nc1nc(-c2cccc(Cl)c2)ns1
InChIInChI=1S/C16H11Cl2N3OS/c1-9-7-12(18)5-6-13(9)15(22)20-16-19-14(21-23-16)10-3-2-4-11(17)8-10/h2-8H,1H3,(H,19,20,21,22)
InChIKeyICCFYRZNDQTUOG-UHFFFAOYSA-N
MW364.26 g/mol
LogP5.07
Rot. Bonds3

About 4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide

4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide (PubChem CID 154799929) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
PubChem CID154799929
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC Name4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)Nc1nc(-c2cccc(Cl)c2)ns1
InChIInChI=1S/C16H11Cl2N3OS/c1-9-7-12(18)5-6-13(9)15(22)20-16-19-14(21-23-16)10-3-2-4-11(17)8-10/h2-8H,1H3,(H,19,20,21,22)
InChIKeyICCFYRZNDQTUOG-UHFFFAOYSA-N
XLogP5.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide?
The IUPAC name of 4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide (CID 154799929) is 4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)Nc1nc(-c2cccc(Cl)c2)ns1.
What is the InChIKey of 4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide?
The InChIKey is ICCFYRZNDQTUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c1-9-7-12(18)5-6-13(9)15(22)20-16-19-14(21-23-16)10-3-2-4-11(17)8-10/h2-8H,1H3,(H,19,20,21,22).
What are the key properties of 4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide?
4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide has a molecular weight of 364.26 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 154799929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).