5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

C18H13Cl2N3O2S — CID 18272540

About 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 18272540) has the molecular formula C18H13Cl2N3O2S and a molecular weight of 406.29 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 18272540
• Molecular Formula: C18H13Cl2N3O2S
• Molecular Weight: 406.29 g/mol
• Exact Mass: 405.01
• IUPAC Name: 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
• SMILES: COc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1
• InChI: InChI=1S/C18H13Cl2N3O2S/c1-25-14-4-2-3-11(9-14)10-15(20)17-22-23-18(26-17)16(24)21-13-7-5-12(19)6-8-13/h2-10H,1H3,(H,21,24)/b15-10-
• InChIKey: SXQAVNPQHMUKIY-GDNBJRDFSA-N
• XLogP: 5.19
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.29
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 18272540) is 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide is COc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1.

What is the InChIKey of 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is SXQAVNPQHMUKIY-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S/c1-25-14-4-2-3-11(9-14)10-15(20)17-22-23-18(26-17)16(24)21-13-7-5-12(19)6-8-13/h2-10H,1H3,(H,21,24)/b15-10-.

What are the key properties of 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?

5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 406.29 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 18272540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).