2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide

C17H15ClN4O3S — CID 51267675

About 2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide (PubChem CID 51267675) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 51267675
• Molecular Formula: C17H15ClN4O3S
• Molecular Weight: 390.85 g/mol
• Exact Mass: 390.06
• IUPAC Name: 2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(NC(=O)CN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)no1
• InChI: InChI=1S/C17H15ClN4O3S/c1-10-7-14(21-25-10)20-15(23)8-22(2)17(24)13-9-26-16(19-13)11-3-5-12(18)6-4-11/h3-7,9H,8H2,1-2H3,(H,20,21,23)
• InChIKey: GKKFBVRWKNYFOS-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.85
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide (CID 51267675) is 2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)CN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)no1.

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

The InChIKey is GKKFBVRWKNYFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-10-7-14(21-25-10)20-15(23)8-22(2)17(24)13-9-26-16(19-13)11-3-5-12(18)6-4-11/h3-7,9H,8H2,1-2H3,(H,20,21,23).

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

2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51267675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).