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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Related Compounds

N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 122150828
3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345237
5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole
CID 46318469
4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 115745910
3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 75454692
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 13041524
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide
CID 99718268
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 86942045
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143
3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 146076485

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).