2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide

C20H15ClN4O2S — CID 55731775

About 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 55731775) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 55731775
• Molecular Formula: C20H15ClN4O2S
• Molecular Weight: 410.89 g/mol
• Exact Mass: 410.06
• IUPAC Name: 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(-c2nnco2)cc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C
• InChI: InChI=1S/C20H15ClN4O2S/c1-11-6-7-13(19-25-22-10-27-19)9-16(11)24-18(26)17-12(2)23-20(28-17)14-4-3-5-15(21)8-14/h3-10H,1-2H3,(H,24,26)
• InChIKey: HHSHMYRSWVLRQZ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.89
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 55731775) is 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nnco2)cc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C.

What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?

The InChIKey is HHSHMYRSWVLRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-11-6-7-13(19-25-22-10-27-19)9-16(11)24-18(26)17-12(2)23-20(28-17)14-4-3-5-15(21)8-14/h3-10H,1-2H3,(H,24,26).

What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?

2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 410.89 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55731775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).